matchms: test-data/convert/msp

annotate test-data/convert/msp_out.msp @ 9:4015f250a5a1 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32

author	recetox
date	Thu, 25 May 2023 09:05:36 +0000
parents	b768248c37d0
children

rev	line source
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1 SCANNUMBER: 1161
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4 FORMULA: C4H10NO3PS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	7 SMILES: COP(=O)(N=C(O)C)SC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	8 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	9 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	10 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	11 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	12 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	13 COMPOUND_NAME: Acephate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	14 RETENTION_TIME: 1.232997
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	15 PRECURSOR_MZ: 184.0194
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	16 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	17 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	18 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	19 NUM PEAKS: 16
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	20 90.09368 1128.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	21 93.11512 1241.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	22 95.10279 1118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	23 101.31465 1152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	24 102.90688 1322.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	25 103.98039 1201.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	26 112.01607 12289.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	27 112.99994 38027.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	28 115.00399 1634.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	29 124.98121 922.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	30 128.97701 9208.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	31 132.57193 1350.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	32 135.84808 1428.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	33 142.99275 16419.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	34 147.94205 1750.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	35 173.5094 2353.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	36
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	37 SCANNUMBER: 2257
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	38 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	39 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	40 FORMULA: C12H11NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	41 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	42 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	43 SMILES: CN=C(Oc1cccc2c1cccc2)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	44 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	45 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	46 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	47 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	48 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	49 COMPOUND_NAME: Carbaryl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	50 RETENTION_TIME: 5.259445
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	51 PRECURSOR_MZ: 202.0863
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	52 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	53 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	54 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	55 NUM PEAKS: 1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	56 145.06491 1326147.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	57
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	58 SCANNUMBER: 1516
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	59 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	60 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	61 FORMULA: C8H16NO5P
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	62 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	63 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	64 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	65 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	66 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	67 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	68 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	69 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	70 COMPOUND_NAME: Dicrotophos
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	71 RETENTION_TIME: 2.025499
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	72 PRECURSOR_MZ: 238.0844
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	73 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	74 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	75 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	76 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	77 112.074 102027.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	78 112.07591 9070987.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	79 127.01563 3230337.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	80 193.02605 7897744.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	81 238.08437 2973124.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	82
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	83 SCANNUMBER: 1865
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	84 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	85 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	86 FORMULA: C5H12NO3PS2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	87 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	88 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	89 SMILES: CN=C(CSP(=S)(OC)OC)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	90 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	91 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	92 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	93 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	94 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	95 COMPOUND_NAME: Dimethoate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	96 RETENTION_TIME: 2.866696
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	97 PRECURSOR_MZ: 230.0072
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	98 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	99 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	100 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	101 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	102 88.0219 548446.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	103 124.98233 183861.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	104 142.99275 722053.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	105 156.95422 80792.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	106 170.97 1426256.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	107 197.98123 240915.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	108 198.96501 5415933.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	109 230.00722 497851.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	110
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	111 SCANNUMBER: 3852
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	112 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	113 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	114 FORMULA: C21H22NO4Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	115 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	116 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	117 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	118 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	119 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	120 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	121 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	122 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	123 COMPOUND_NAME: Dimethomorph
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	124 RETENTION_TIME: 7.060486
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	125 PRECURSOR_MZ: 388.1316
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	126 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	127 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	128 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	129 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	130 114.05532 468862.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	131 125.01571 886745.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	132 138.99484 4138370.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	133 155.0705 425164.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	134 165.05519 15513399.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	135 165.06543 350695.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	136 195.08057 386226.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	137 215.0262 490061.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	138 223.07544 702025.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	139 227.02576 230514.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	140 229.04225 216308.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	141 235.07555 241142.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	142 238.09914 1323577.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	143 242.04929 2449236.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	144 243.02142 891584.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	145 257.03726 578874.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	146 258.04443 3232295.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	147 266.0943 358273.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	148 270.04492 608851.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	149 273.06772 3866006.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	150 286.03912 483547.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	151 301.06311 4060551.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	152
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	153 SCANNUMBER: 1009
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	154 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	155 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	156 FORMULA: C2H8NO2PS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	157 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	158 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	159 SMILES: COP(=O)(SC)N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	160 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	161 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	162 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	163 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	164 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	165 COMPOUND_NAME: Methamidophos
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	166 RETENTION_TIME: 1.153307
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	167 PRECURSOR_MZ: 142.0089
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	168 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	169 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	170 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	171 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	172 98.00042 37721.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	173 109.98272 71172.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	174 112.01607 2867923.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	175 127.99321 75837.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	176
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	177 SCANNUMBER: 1924
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	178 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	179 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	180 FORMULA: C7H13O6P
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	181 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	182 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	183 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	184 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	185 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	186 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	187 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	188 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	189 COMPOUND_NAME: Mevinphos
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	190 RETENTION_TIME: 2.876307
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	191 PRECURSOR_MZ: 225.0525
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	192 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	193 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	194 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	195 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	196 99.04416 295529.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	197 127.01563 1960973.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	198 193.02605 1150190.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	199 225.05209 101872.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	200
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	201 SCANNUMBER: 1246
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	202 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	203 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	204 FORMULA: C5H12NO4PS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	205 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	206 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	207 SMILES: CN=C(CSP(=O)(OC)OC)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	208 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	209 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	210 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	211 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	212 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	213 COMPOUND_NAME: Omethoate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	214 RETENTION_TIME: 1.33423
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	215 PRECURSOR_MZ: 214.0303
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	216 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	217 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	218 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	219 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	220 104.01654 86844.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	221 124.98233 194375.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	222 127.01563 4696021.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	223 128.97701 47970.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	224 142.99275 4310988.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	225
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	226 SCANNUMBER: 5447
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	227 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	228 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	229 FORMULA: C16H20O6P2S3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	230 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	231 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	232 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	233 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	234 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	235 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	236 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	237 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	238 COMPOUND_NAME: Temephos
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	239 RETENTION_TIME: 7.736881
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	240 PRECURSOR_MZ: 466.9978
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	241 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	242 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	243 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	244 NUM PEAKS: 44
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	245 124.98233 218400.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	246 125.00596 124192.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	247 127.01563 590561.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	248 139.02167 79978.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	249 139.05467 105470.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	250 140.95975 428071.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	251 142.99275 7482486.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	252 154.99849 619650.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	253 157.00861 365474.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	254 171.02641 502869.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	255 172.03448 151150.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	256 183.02695 176056.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	257 184.03453 206568.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	258 187.02121 240339.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	259 199.02151 245544.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	260 200.02902 385101.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	261 201.03729 198527.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	262 211.03268 88063.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	263 215.01689 538632.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	264 217.03214 259530.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	265 218.98798 87371.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	266 219.02972 94609.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	267 230.99336 108101.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	268 232.03233 244260.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	269 233.00958 88058.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	270 247.02538 224924.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	271 248.03291 127038.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	272 261.98486 132283.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	273 262.99268 185876.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	274 264.00052 186556.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	275 278.98856 208891.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	276 293.00336 81563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	277 293.99384 84250.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	278 294.96494 87413.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	279 296.99844 481380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	280 298.0065 151600.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	281 311.01453 119733.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	282 313.01282 181581.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	283 327.99893 299098.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	284 341.00787 2218540.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	285 342.01566 293721.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	286 356.03104 227870.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	287 357.03922 75786.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	288 387.9765 125383.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	289
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	290 SCANNUMBER: 1625
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	291 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	292 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	293 FORMULA: C4H8O4Cl3P
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	294 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	295 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	296 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	297 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	298 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	299 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	300 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	301 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	302 COMPOUND_NAME: Trichlorfon
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	303 RETENTION_TIME: 2.242985
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	304 PRECURSOR_MZ: 256.9308
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	305 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	306 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	307 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	308 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	309 93.01007 104589.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	310 97.00512 72293.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	311 112.99994 32292.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	312 127.01563 3150219.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	313
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	314 SCANNUMBER: 2002
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	315 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	316 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	317 FORMULA: C8H18NO4PS2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	318 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	319 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	320 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	321 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	322 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	323 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	324 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	325 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	326 COMPOUND_NAME: Vamidothion
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	327 RETENTION_TIME: 2.914602
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	328 PRECURSOR_MZ: 288.0491
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	329 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	330 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	331 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	332 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	333 118.03215 464396.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	334 146.06366 10321336.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	335 288.04907 1456244.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	336
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	337 SCANNUMBER: 1209
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	338 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	339 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	340 FORMULA: C7H14N2O4S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	341 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	342 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	343 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	344 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	345 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	346 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	347 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	348 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	349 COMPOUND_NAME: Aldicarb sulfone
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	350 RETENTION_TIME: 1.483623
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	351 PRECURSOR_MZ: 223.075
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	352 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	353 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	354 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	355 NUM PEAKS: 9
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	356 86.06018 763151.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	357 106.03234 330646.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	358 120.04782 16624.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	359 148.03964 11931.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	360 148.04301 1170924.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	361 166.05334 738329.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	362 208.9567 12192.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	363 223.06381 99297.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	364 223.07454 90546.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	365
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	366 SCANNUMBER: 4766
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	367 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	368 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	369 FORMULA: C20H30N2O5S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	370 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	371 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	372 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	373 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	374 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	375 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	376 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	377 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	378 COMPOUND_NAME: Benfuracarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	379 RETENTION_TIME: 7.163228
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	380 PRECURSOR_MZ: 411.1956
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	381 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	382 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	383 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	384 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	385 90.03748 30498.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	386 102.00096 69259.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	387 109.02874 31641.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	388 111.08049 29319.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	389 112.07591 44046.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	390 115.05431 43630.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	391 116.07085 30236.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	392 125.00558 53990.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	393 133.0649 58728.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	394 137.05998 23811.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	395 143.04921 51685.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	396 144.05734 107852.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	397 149.04198 61180.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	398 153.0369 175741.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	399 158.11797 70456.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	400 161.06012 99721.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	401 162.0676 971826.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	402 167.01654 45521.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	403 167.05246 131346.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	404 171.0114 23364.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	405 177.03709 172641.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	406 195.04765 2265269.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	407
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	408 SCANNUMBER: 1209
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	409 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	410 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	411 FORMULA: C7H14N2O4S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	412 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	413 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	414 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	415 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	416 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	417 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	418 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	419 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	420 COMPOUND_NAME: Butoxycarboxim
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	421 RETENTION_TIME: 1.483623
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	422 PRECURSOR_MZ: 223.075
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	423 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	424 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	425 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	426 NUM PEAKS: 9
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	427 86.06018 763151.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	428 106.03234 330646.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	429 120.04782 16624.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	430 148.03964 11931.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	431 148.04301 1170924.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	432 166.05334 738329.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	433 208.9567 12192.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	434 223.06381 99297.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	435 223.07454 90546.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	436
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	437 SCANNUMBER: 4928
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	438 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	439 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	440 FORMULA: C18H26N2O5S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	441 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	442 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	443 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	444 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	445 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	446 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	447 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	448 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	449 COMPOUND_NAME: Furathiocarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	450 RETENTION_TIME: 7.19165
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	451 PRECURSOR_MZ: 383.1642
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	452 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	453 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	454 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	455 NUM PEAKS: 49
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	456 87.02665 170322.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	457 90.03748 426298.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	458 91.05442 232061.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	459 95.04954 175219.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	460 97.01102 504855.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	461 105.0702 848188.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	462 107.04936 404555.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	463 107.08593 329012.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	464 109.02874 370826.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	465 109.0651 289619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	466 111.0808 200502.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	467 115.05464 651489.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	468 116.06246 367386.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	469 117.07032 300497.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	470 118.07793 135317.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	471 121.06524 216247.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	472 122.03665 593314.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	473 123.04434 862460.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	474 125.00596 4842440.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	475 131.04935 572523.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	476 133.0649 1461373.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	477 134.01871 277355.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	478 134.07285 254631.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	479 135.08093 991426.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	480 137.05998 186090.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	481 139.02167 356706.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	482 139.05775 475631.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	483 143.04967 427124.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	484 144.05734 1163702.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	485 145.0649 273080.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	486 146.07314 822073.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	487 147.04451 460929.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	488 147.08089 234097.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	489 149.00584 154496.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	490 149.04247 1446405.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	491 149.06004 3536863.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	492 153.00082 192002.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	493 153.0374 1282857.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	494 161.06012 1492726.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	495 162.0676 9461931.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	496 163.07562 216378.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	497 164.08348 6924294.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	498 165.09103 228313.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	499 167.01654 354658.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	500 167.05304 10929155.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	501 171.0114 128914.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	502 177.03709 3978125.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	503 180.02414 213051.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	504 195.04765 11849349.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	505
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	506 SCANNUMBER: 3333
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	507 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	508 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	509 FORMULA: C10H11N3OS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	510 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	511 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	512 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	513 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	514 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	515 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	516 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	517 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	518 COMPOUND_NAME: Methabenzthiazuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	519 RETENTION_TIME: 6.711947
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	520 PRECURSOR_MZ: 222.0702
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	521 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	522 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	523 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	524 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	525 92.0498 456372.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	526 109.01102 367319.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	527 123.01394 375280.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	528 124.02193 2568680.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	529 132.06825 123566.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	530 150.02492 9399192.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	531 163.03316 152108.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	532 165.04836 9598566.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	533
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	534 SCANNUMBER: 1984
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	535 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	536 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	537 FORMULA: C9H16N4OS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	538 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	539 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	540 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	541 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	542 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	543 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	544 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	545 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	546 COMPOUND_NAME: Tebuthiuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	547 RETENTION_TIME: 4.241355
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	548 PRECURSOR_MZ: 229.1121
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	549 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	550 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	551 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	552 NUM PEAKS: 9
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	553 88.0219 230604.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	554 89.01719 2030070.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	555 101.04233 435137.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	556 116.0279 20609154.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	557 141.04826 319289.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	558 142.04346 1851694.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	559 156.05936 1133851.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	560 157.06721 6762498.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	561 172.09081 12592908.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	562
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	563 SCANNUMBER: 2185
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	564 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	565 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	566 FORMULA: C9H8N4OS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	567 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	568 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	569 SMILES: OC(=Nc1ccccc1)Nc1cnns1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	570 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	571 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	572 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	573 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	574 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	575 COMPOUND_NAME: Thidiazuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	576 RETENTION_TIME: 4.909884
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	577 PRECURSOR_MZ: 221.0497
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	578 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	579 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	580 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	581 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	582 92.04957 154355.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	583 94.0652 188105.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	584 95.04929 172328.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	585 102.0123 2547264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	586 105.04477 127605.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	587 120.04464 76344.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	588 127.99126 615346.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	589
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	590 SCANNUMBER: 2307
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	591 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	592 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	593 FORMULA: C11H15NO2S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	594 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	595 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	596 SMILES: CCSCc1ccccc1OC(=NC)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	597 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	598 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	599 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	600 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	601 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	602 COMPOUND_NAME: Ethiofencarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	603 RETENTION_TIME: 5.074083
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	604 PRECURSOR_MZ: 226.09
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	605 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	606 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	607 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	608 NUM PEAKS: 6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	609 95.04929 42106.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	610 105.04477 32913.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	611 107.04936 243964.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	612 120.08101 4266.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	613 134.0966 5759.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	614 147.93529 2678.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	615
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	616 SCANNUMBER: 2724
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	617 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	618 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	619 FORMULA: C11H15NO2S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	620 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	621 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	622 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	623 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	624 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	625 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	626 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	627 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	628 COMPOUND_NAME: Methiocarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	629 RETENTION_TIME: 6.352629
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	630 PRECURSOR_MZ: 226.0899
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	631 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	632 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	633 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	634 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	635 121.06488 799606.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	636 122.07284 96691.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	637 169.06853 4882474.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	638 226.08951 145633.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	639
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	640 SCANNUMBER: 1753
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	641 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	642 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	643 FORMULA: C12H15NO3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	644 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	645 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	646 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	647 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	648 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	649 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	650 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	651 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	652 COMPOUND_NAME: Carbofuran
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	653 RETENTION_TIME: 4.14677
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	654 PRECURSOR_MZ: 222.1128
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	655 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	656 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	657 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	658 NUM PEAKS: 10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	659 91.05442 804154.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	660 95.04929 737907.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	661 105.03379 225770.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	662 105.04506 153330.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	663 111.04436 105844.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	664 119.04944 164758.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	665 119.0857 227890.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	666 123.04434 10121862.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	667 137.05997 448261.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	668 147.08089 104307.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	669
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	670 SCANNUMBER: 4866
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	671 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	672 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	673 FORMULA: C15H15N2O2Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	674 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	675 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	676 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	677 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	678 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	679 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	680 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	681 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	682 COMPOUND_NAME: Chloroxuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	683 RETENTION_TIME: 6.824893
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	684 PRECURSOR_MZ: 291.09
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	685 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	686 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	687 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	688 NUM PEAKS: 34
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	689 94.04169 27706.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	690 98.99973 58512.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	691 106.06546 243512.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	692 118.06519 562204.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	693 119.07315 45536.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	694 120.081 78773.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	695 126.99488 83528.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	696 128.06239 310868.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	697 129.01042 87060.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	698 139.00583 288886.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	699 145.0649 99810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	700 146.06033 24021.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	701 147.06796 35662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	702 149.01559 36207.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	703 152.00261 21619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	704 154.06534 101982.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	705 155.06065 198243.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	706 155.07309 108829.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	707 163.03091 1196885.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	708 163.08679 138657.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	709 164.09476 19883.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	710 168.05711 61850.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	711 173.50755 33783.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	712 175.03131 42262.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	713 182.05989 34322.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	714 183.06813 160230.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	715 190.04181 279261.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	716 191.02574 49125.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	717 211.06313 28451.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	718 218.03699 1977628.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	719 219.04449 20961.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	720 233.15379 75598.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	721 246.03224 40845.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	722 249.18484 96150.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	723
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	724 SCANNUMBER: 2586
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	725 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	726 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	727 FORMULA: C10H13N2OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	728 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	729 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	730 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	731 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	732 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	733 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	734 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	735 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	736 COMPOUND_NAME: Chlortoluron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	737 RETENTION_TIME: 5.193264
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	738 PRECURSOR_MZ: 213.0795
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	739 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	740 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	741 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	742 NUM PEAKS: 14
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	743 89.03883 57032.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	744 95.04929 125786.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	745 96.04461 17062.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	746 98.99973 31149.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	747 104.04956 355337.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	748 105.04477 72262.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	749 105.05748 49060.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	750 113.01541 282031.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	751 125.01533 380427.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	752 132.04463 44913.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	753 133.05254 86668.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	754 140.02612 1662428.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	755 153.02165 91587.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	756 168.02145 83345.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	757
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	758 SCANNUMBER: 2273
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	759 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	760 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	761 FORMULA: C11H22N2O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	762 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	763 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	764 SMILES: CN(C(=NC1CCCCCCC1)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	765 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	766 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	767 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	768 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	769 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	770 COMPOUND_NAME: Cycluron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	771 RETENTION_TIME: 5.00998
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	772 PRECURSOR_MZ: 199.1809
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	773 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	774 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	775 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	776 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	777 89.07108 1303776.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	778 111.11694 18709.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	779 147.92079 14411.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	780 147.93768 15209.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	781
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	782 SCANNUMBER: 3582
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	783 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	784 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	785 FORMULA: C14H21NO4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	786 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	787 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	788 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	789 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	790 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	791 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	792 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	793 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	794 COMPOUND_NAME: Diethofencarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	795 RETENTION_TIME: 6.124817
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	796 PRECURSOR_MZ: 268.1547
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	797 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	798 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	799 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	800 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	801 152.07103 98482.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	802 180.06563 117586.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	803 180.10194 441784.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	804 198.0762 507187.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	805 208.09682 172166.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	806 226.10776 6612320.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	807 268.15411 115526.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	808
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	809 SCANNUMBER: 5619
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	810 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	811 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	812 FORMULA: C14H9N2O2ClF2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	813 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	814 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	815 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	816 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	817 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	818 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	819 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	820 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	821 COMPOUND_NAME: Diflubenzuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	822 RETENTION_TIME: 6.959446
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	823 PRECURSOR_MZ: 311.0396
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	824 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	825 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	826 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	827 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	828 141.01498 340685.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	829 158.04167 9035608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	830 311.03952 2283440.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	831
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	832 SCANNUMBER: 3192
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	833 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	834 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	835 FORMULA: C9H10N2OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	836 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	837 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	838 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	839 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	840 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	841 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	842 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	843 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	844 COMPOUND_NAME: Diuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	845 RETENTION_TIME: 5.711479
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	846 PRECURSOR_MZ: 233.0248
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	847 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	848 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	849 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	850 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	851 123.99487 30141.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	852 125.00295 82231.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	853 132.96072 233186.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	854 151.03258 25890.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	855 152.99777 66942.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	856 159.97182 940217.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	857 172.96721 73012.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	858 187.96654 38425.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	859
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	860 SCANNUMBER: 1320
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	861 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	862 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	863 FORMULA: C11H13NO4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	864 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	865 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	866 SMILES: CN=C(Oc1ccccc1C1OCCO1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	867 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	868 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	869 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	870 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	871 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	872 COMPOUND_NAME: Dioxacarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	873 RETENTION_TIME: 2.808769
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	874 PRECURSOR_MZ: 224.092
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	875 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	876 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	877 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	878 NUM PEAKS: 6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	879 95.04929 26554.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	880 123.04434 805609.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	881 162.05486 264649.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	882 167.07042 1519113.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	883 208.95668 21966.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	884 224.12801 18664.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	885
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	886 SCANNUMBER: 1667
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	887 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	888 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	889 FORMULA: C11H13NO4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	890 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	891 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	892 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	893 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	894 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	895 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	896 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	897 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	898 COMPOUND_NAME: Bendiocarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	899 RETENTION_TIME: 4.036841
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	900 PRECURSOR_MZ: 224.092
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	901 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	902 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	903 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	904 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	905 109.02843 576717.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	906 167.07042 2075283.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	907 224.092 50305.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	908 224.12801 22894.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	909
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	910 SCANNUMBER: 2735
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	911 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	912 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	913 FORMULA: C12H17NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	914 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	915 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	916 SMILES: CCC(c1ccccc1OC(=NC)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	917 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	918 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	919 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	920 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	921 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	922 COMPOUND_NAME: Fenobucarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	923 RETENTION_TIME: 5.279047
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	924 PRECURSOR_MZ: 208.1339
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	925 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	926 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	927 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	928 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	929 95.04929 2304002.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	930 151.1118 339052.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	931 152.07103 1283617.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	932 208.13309 261671.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	933 208.15242 67196.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	934
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	935 SCANNUMBER: 7794
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	936 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	937 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	938 FORMULA: C21H11N2O3ClF6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	939 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	940 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	941 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	942 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	943 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	944 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	945 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	946 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	947 COMPOUND_NAME: Flufenoxuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	948 RETENTION_TIME: 7.258582
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	949 PRECURSOR_MZ: 489.044
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	950 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	951 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	952 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	953 NUM PEAKS: 9
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	954 140.03102 198040.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	955 141.01498 8731300.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	956 141.02489 125031.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	957 158.04167 5469943.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	958 306.03055 226666.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	959 326.76685 460767.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	960 328.76389 301405.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	961 407.68225 401379.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	962 409.68002 103253.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	963
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	964 SCANNUMBER: 1879
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	965 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	966 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	967 FORMULA: C10H11N2OF3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	968 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	969 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	970 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	971 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	972 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	973 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	974 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	975 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	976 COMPOUND_NAME: Fluometuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	977 RETENTION_TIME: 4.295248
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	978 PRECURSOR_MZ: 233.0903
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	979 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	980 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	981 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	982 NUM PEAKS: 14
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	983 133.02617 72647.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	984 140.03056 412576.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	985 141.02579 30382.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	986 145.02599 1001995.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	987 148.03093 43335.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	988 160.03375 16242.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	989 160.037 1435798.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	990 163.0365 19807.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	991 168.02554 576288.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	992 173.03194 272722.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	993 173.50755 34131.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	994 178.04784 113811.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	995 188.03226 109696.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	996 192.06305 82452.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	997
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	998 SCANNUMBER: 3521
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	999 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1000 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1001 FORMULA: C12H10N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1002 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1003 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1004 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1005 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1006 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1007 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1008 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1009 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1010 COMPOUND_NAME: Forchlorfenuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1011 RETENTION_TIME: 6.068144
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1012 PRECURSOR_MZ: 248.0593
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1013 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1014 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1015 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1016 NUM PEAKS: 6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1017 93.04498 1144138.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1018 94.06544 222850.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1019 111.05567 15214406.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1020 129.02182 20609304.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1021 137.03458 1954463.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1022 155.00107 2962225.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1023
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1024 SCANNUMBER: 1109
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1025 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1026 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1027 FORMULA: C12H15NO4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1028 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1029 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1030 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1031 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1032 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1033 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1034 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1035 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1036 COMPOUND_NAME: 3-Hydroxycarbofuran
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1037 RETENTION_TIME: 2.534817
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1038 PRECURSOR_MZ: 238.1075
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1039 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1040 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1041 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1042 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1043 135.08051 61121.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1044 163.07562 1270756.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1045 181.08611 3459316.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1046 207.06541 67306.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1047 208.95668 38515.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1048 220.09669 446913.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1049 238.10802 398788.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1050
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1051 SCANNUMBER: 7519
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1052 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1053 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1054 FORMULA: C22H17N3O7ClF3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1055 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1056 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1057 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1058 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1059 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1060 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1061 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1062 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1063 COMPOUND_NAME: Indoxacarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1064 RETENTION_TIME: 7.23968
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1065 PRECURSOR_MZ: 528.0795
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1066 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1067 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1068 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1069 NUM PEAKS: 38
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1070 104.04956 303700.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1071 127.04175 99545.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1072 128.06201 117126.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1073 132.04463 290691.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1074 134.0237 264912.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1075 137.0152 94534.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1076 142.06526 75186.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1077 149.01559 214826.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1078 150.0106 1405054.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1079 155.06065 232073.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1080 160.05058 254333.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1081 162.01057 1521152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1082 163.01862 86648.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1083 163.03091 132653.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1084 164.02652 208730.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1085 165.03412 90438.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1086 167.0258 357529.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1087 168.02145 1690027.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1088 174.99464 101678.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1089 177.01054 92638.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1090 177.03394 231314.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1091 179.02611 358184.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1092 180.02089 413839.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1093 182.03682 119810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1094 189.02151 643960.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1095 190.00526 1446936.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1096 190.04744 486518.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1097 194.03688 93119.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1098 195.02061 551503.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1099 203.01863 7362278.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1100 204.00897 308332.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1101 207.02065 269934.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1102 208.01628 221573.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1103 215.04312 81774.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1104 217.01668 489943.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1105 218.04218 536326.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1106 219.03232 457473.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1107 223.01553 87858.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1108
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1109 SCANNUMBER: 3798
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1110 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1111 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1112 FORMULA: C18H28N2O3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1113 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1114 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1115 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1116 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1117 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1118 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1119 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1120 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1121 COMPOUND_NAME: Iprovalicarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1122 RETENTION_TIME: 6.291288
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1123 PRECURSOR_MZ: 321.218
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1124 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1125 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1126 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1127 NUM PEAKS: 9
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1128 116.07085 2061421.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1129 117.10262 213026.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1130 119.0857 8088768.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1131 144.06569 976637.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1132 158.11795 349762.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1133 161.09248 110448.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1134 186.11298 1809182.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1135 203.13902 3619220.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1136 321.21719 658523.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1137
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1138 SCANNUMBER: 2221
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1139 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1140 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1141 FORMULA: C12H18N2O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1142 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1143 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1144 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1145 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1146 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1147 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1148 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1149 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1150 COMPOUND_NAME: Isoproturon
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1151 RETENTION_TIME: 4.953308
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1152 PRECURSOR_MZ: 207.1494
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1153 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1154 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1155 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1156 NUM PEAKS: 27
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1157 91.05442 804905.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1158 92.04957 254047.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1159 93.0575 33128.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1160 93.07003 116103.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1161 94.06519 63492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1162 95.04929 164116.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1163 103.05439 51947.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1164 104.0621 43995.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1165 105.04477 78368.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1166 105.06991 101627.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1167 106.06517 86652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1168 107.08415 19657.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1169 107.08563 575392.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1170 108.08108 26529.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1171 109.0651 34575.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1172 115.05431 109513.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1173 117.06998 312366.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1174 118.06519 123299.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1175 119.0606 36796.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1176 119.07315 606574.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1177 120.04464 242145.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1178 132.08089 72884.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1179 134.0966 1730390.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1180 137.09615 58215.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1181 147.0919 129941.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1182 162.09142 42617.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1183 165.10242 74899.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1184
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1185 SCANNUMBER: 3991
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1186 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1187 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1188 FORMULA: C9H10N2O2Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1189 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1190 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1191 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1192 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1193 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1194 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1195 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1196 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1197 COMPOUND_NAME: Linuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1198 RETENTION_TIME: 6.428301
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1199 PRECURSOR_MZ: 249.0202
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1200 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1201 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1202 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1203 NUM PEAKS: 17
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1204 123.99524 160993.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1205 125.00295 934482.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1206 126.01085 53171.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1207 127.0187 34132.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1208 132.96072 2098030.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1209 133.96875 42332.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1210 142.00574 58394.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1211 153.02165 907640.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1212 154.02942 31975.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1213 159.97182 1453641.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1214 160.97951 1564652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1215 165.02161 76894.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1216 167.0009 34764.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1217 173.98759 32777.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1218 181.0168 457538.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1219 182.02429 570846.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1220 216.99352 182540.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1221
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1222 SCANNUMBER: 2948
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1223 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1224 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1225 FORMULA: C9H11N2O2Br
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1226 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1227 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1228 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1229 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1230 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1231 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1232 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1233 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1234 COMPOUND_NAME: Metobromuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1235 RETENTION_TIME: 5.555997
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1236 PRECURSOR_MZ: 259.0081
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1237 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1238 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1239 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1240 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1241 90.03403 60649.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1242 91.04183 2389714.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1243 92.04957 214805.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1244 93.0575 47461.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1245 110.06014 105724.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1246 119.0606 1438162.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1247 120.06829 52547.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1248 131.06062 84354.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1249 142.94916 1281698.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1250 147.05553 745419.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1251 148.06332 717928.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1252 169.95995 3654354.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1253 170.96819 2866842.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1254 183.97557 70285.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1255 226.98169 352678.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1256
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1257 SCANNUMBER: 2345
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1258 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1259 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1260 FORMULA: C9H11N2O2Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1261 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1262 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1263 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1264 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1265 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1266 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1267 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1268 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1269 COMPOUND_NAME: Monolinuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1270 RETENTION_TIME: 5.086284
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1271 PRECURSOR_MZ: 215.0587
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1272 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1273 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1274 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1275 NUM PEAKS: 16
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1276 90.03403 245033.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1277 91.04183 266487.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1278 92.0498 149734.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1279 93.0575 65470.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1280 98.99973 5081895.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1281 100.00744 171810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1282 119.0606 1725493.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1283 120.06829 76212.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1284 126.01085 4292995.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1285 127.01831 4179362.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1286 131.06062 91755.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1287 140.02657 95768.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1288 141.02174 52283.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1289 147.05553 873918.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1290 148.06332 1071865.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1291 183.03224 448058.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1292
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1293 SCANNUMBER: 6056
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1294 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1295 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1296 FORMULA: C17H19NO4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1297 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1298 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1299 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1300 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1301 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1302 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1303 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1304 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1305 COMPOUND_NAME: Fenoxycarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1306 RETENTION_TIME: 7.007411
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1307 PRECURSOR_MZ: 302.1392
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1308 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1309 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1310 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1311 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1312 88.03963 3398675.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1313 116.07085 7870537.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1314 256.09756 3714539.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1315 302.13986 4154405.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1316
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1317 SCANNUMBER: 1173
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1318 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1319 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1320 FORMULA: C9H12N2O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1321 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1322 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1323 SMILES: CN(C(=Nc1ccccc1)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1326 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1327 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1328 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1329 COMPOUND_NAME: Fenuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1330 RETENTION_TIME: 2.603287
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1331 PRECURSOR_MZ: 165.1026
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1332 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1333 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1334 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1335 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1336 90.94795 13666.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1337 92.04957 465012.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1338 93.0575 10288.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1339 95.0478 10698.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1340 95.04929 620773.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1341 104.96333 7099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1342 105.04477 391134.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1343 120.04464 89335.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1344
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1345 SCANNUMBER: 2001
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1346 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1347 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1348 FORMULA: C11H15NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1349 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1350 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1351 SMILES: CN=C(Oc1ccccc1C(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1352 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1353 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1354 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1355 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1356 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1357 COMPOUND_NAME: Isoprocarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1358 RETENTION_TIME: 4.552796
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1359 PRECURSOR_MZ: 194.1181
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1360 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1361 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1362 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1363 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1364 95.04929 1741248.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1365 137.09615 1255669.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1366 152.07103 658146.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1367 194.11743 393850.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1368
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1369 SCANNUMBER: 8910
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1370 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1371 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1372 FORMULA: C19H18N3O4Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1373 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1374 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1375 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1376 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1377 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1378 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1379 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1380 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1381 COMPOUND_NAME: Pyraclostrobin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1382 RETENTION_TIME: 7.421628
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1383 PRECURSOR_MZ: 388.107
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1384 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1385 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1386 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1387 NUM PEAKS: 11
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1388 162.0554 983545.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1389 163.06332 1950324.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1390 164.07108 4818863.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1391 194.08186 23217608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1392 296.05423 282175.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1393 296.05969 5986147.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1394 324.05402 1024635.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1395 356.07611 701579.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1396 356.08151 2958382.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1397 357.08807 317478.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1398 388.10776 6476718.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1399
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1400 SCANNUMBER: 3358
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1401 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1402 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1403 FORMULA: C14H20N2O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1404 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1405 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1406 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1407 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1408 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1409 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1410 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1411 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1412 COMPOUND_NAME: Siduron_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1413 RETENTION_TIME: 5.922128
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1414 PRECURSOR_MZ: 233.1652
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1415 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1416 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1417 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1418 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1419 92.0498 933541.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1420 93.0575 170423.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1421 94.06544 14211722.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1422 95.04929 2073643.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1423 97.10134 599721.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1424 105.04506 1075144.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1425 120.04464 1602718.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1426 137.07117 1760320.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1427
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1428 SCANNUMBER: 3451
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1429 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1430 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1431 FORMULA: C14H20N2O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1432 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1433 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1434 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1435 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1436 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1437 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1438 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1439 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1440 COMPOUND_NAME: Siduron_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1441 RETENTION_TIME: 6.048454
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1442 PRECURSOR_MZ: 233.1654
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1443 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1444 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1445 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1446 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1447 92.04957 227079.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1448 93.0575 48287.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1449 94.06519 3308508.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1450 95.04929 491391.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1451 97.10134 147324.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1452 105.04477 331107.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1453 120.04464 414038.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1454 137.07117 494688.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1455
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1456 SCANNUMBER: 6489
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1457 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1458 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1459 FORMULA: C12H16NOClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1460 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1461 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1462 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1463 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1464 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1465 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1466 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1467 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1468 COMPOUND_NAME: Thiobencarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1469 RETENTION_TIME: 7.094566
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1470 PRECURSOR_MZ: 258.0717
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1471 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1472 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1473 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1474 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1475 89.03883 1114558.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1476 98.99973 585236.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1477 125.01533 28327212.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1478
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1479 SCANNUMBER: 5946
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1480 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1481 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1482 FORMULA: C15H10N2O3ClF3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1483 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1484 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1485 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1486 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1487 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1488 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1489 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1490 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1491 COMPOUND_NAME: Triflumuron
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1492 RETENTION_TIME: 6.978649
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1493 PRECURSOR_MZ: 359.0412
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1494 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1495 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1496 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1497 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1498 113.01541 658622.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1499 129.01042 138249.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1500 138.011 140957.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1501 138.99484 9851099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1502 139.00452 474854.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1503 156.02116 3353307.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1504 178.04784 200379.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1505
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1506 SCANNUMBER: 3629
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1507 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1508 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1509 FORMULA: C10H13NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1510 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1511 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1512 SMILES: CC(OC(=Nc1ccccc1)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1513 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1514 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1515 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1516 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1517 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1518 COMPOUND_NAME: Propham
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1519 RETENTION_TIME: 6.134321
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1520 PRECURSOR_MZ: 180.1022
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1521 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1522 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1523 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1524 NUM PEAKS: 13
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1525 91.05442 8291.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1526 93.0575 2806.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1527 95.04929 8647.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1528 96.04461 67785.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1529 97.02845 206258.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1530 105.0335 4841.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1531 105.04477 6538.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1532 106.02882 185730.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1533 109.02843 2611.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1534 117.0574 2236.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1535 124.03935 187312.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1536 134.0237 14609.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1537 152.0343 3135.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1538
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1539 SCANNUMBER: 1562
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1540 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1541 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1542 FORMULA: C11H15NO3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1543 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1544 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1545 SMILES: CN=C(Oc1ccccc1OC(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1546 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1547 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1548 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1549 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1550 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1551 COMPOUND_NAME: Propoxur
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1552 RETENTION_TIME: 3.894733
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1553 PRECURSOR_MZ: 210.1129
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1554 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1555 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1556 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1557 NUM PEAKS: 6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1558 93.03366 11976.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1559 111.04436 1112660.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1560 153.09126 254920.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1561 168.06589 785437.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1562 199.97662 26875.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1563 210.11256 38244.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1564
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1565 SCANNUMBER: 4942
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1566 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1567 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1568 FORMULA: C12H16N2OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1569 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1570 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1571 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1572 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1573 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1574 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1575 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1576 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1577 COMPOUND_NAME: Neburon
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1578 RETENTION_TIME: 6.834164
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1579 PRECURSOR_MZ: 275.0721
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1580 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1581 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1582 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1583 NUM PEAKS: 12
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1584 88.11217 614563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1585 114.09161 31817.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1586 123.99487 30163.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1587 125.00258 66386.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1588 127.01831 315476.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1589 132.96072 198326.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1590 152.99777 149347.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1591 159.97182 1502459.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1592 161.98734 127589.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1593 172.9666 45053.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1594 173.50816 20256.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1595 187.96652 106090.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1596
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1597 SCANNUMBER: 1410
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1598 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1599 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1600 FORMULA: C11H18N4O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1601 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1602 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1603 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1604 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1605 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1606 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1607 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1608 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1609 COMPOUND_NAME: Pirimicarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1610 RETENTION_TIME: 2.886323
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1611 PRECURSOR_MZ: 239.1508
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1612 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1613 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1614 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1615 NUM PEAKS: 16
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1616 85.07622 1062158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1617 94.05271 17085.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1618 109.07641 1234692.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1619 123.0557 18419.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1620 124.06345 155955.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1621 137.07117 726268.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1622 138.0789 659866.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1623 139.08681 37108.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1624 150.10287 446134.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1625 152.08211 433568.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1626 166.09756 38582.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1627 167.10577 250650.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1628 168.11327 14402.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1629 180.11363 53047.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1630 182.12914 1046026.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1631 195.16029 68565.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1632
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1633 SCANNUMBER: 3089
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1634 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1635 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1636 FORMULA: C12H17NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1637 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1638 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1639 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1640 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1641 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1642 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1643 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1644 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1645 COMPOUND_NAME: Promecarb
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1646 RETENTION_TIME: 5.65392
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1647 PRECURSOR_MZ: 208.1339
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1648 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1649 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1650 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1651 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1652 109.0651 1911986.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1653 151.1118 3833728.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1654 208.13309 173991.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1655
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1656 SCANNUMBER: 2984
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1657 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1658 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1659 FORMULA: C9H17N5S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1660 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1661 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1662 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1663 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1664 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1665 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1666 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1667 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1668 COMPOUND_NAME: Ametryn
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1669 RETENTION_TIME: 4.38309
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1670 PRECURSOR_MZ: 228.1282
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1671 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1672 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1673 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1674 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1675 85.05116 494786.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1676 91.03273 2410460.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1677 96.05421 57071.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1678 96.05572 4102907.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1679 102.03746 125646.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1680 110.04619 527391.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1681 113.08218 433234.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1682 116.0279 3479269.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1683 138.07761 1659836.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1684 140.09331 43027.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1685 144.05919 1428619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1686 158.04967 1355067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1687 184.06534 61690.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1688 186.08095 4152044.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1689 228.12772 94575.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1690
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1691 SCANNUMBER: 7002
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1692 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1693 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1694 FORMULA: C22H17N3O5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1695 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1696 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1697 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1698 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1699 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1700 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1701 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1702 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1703 COMPOUND_NAME: Azoxystrobin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1704 RETENTION_TIME: 6.9269
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1705 PRECURSOR_MZ: 404.1249
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1706 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1707 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1708 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1709 NUM PEAKS: 46
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1710 120.04499 298934.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1711 129.04543 475852.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1712 130.0406 263606.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1713 133.05293 386291.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1714 134.06076 1413032.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1715 141.04556 164042.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1716 143.06114 793237.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1717 145.02927 438571.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1718 145.0527 469026.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1719 155.06116 174099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1720 156.04523 1265874.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1721 169.04019 657911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1722 170.04799 171763.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1723 171.03239 360415.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1724 171.05582 571918.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1725 172.03992 1796369.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1726 173.04782 282353.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1727 177.05542 349400.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1728 182.04868 292236.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1729 182.0724 305597.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1730 183.05617 4029271.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1731 199.05089 723420.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1732 200.03506 1025293.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1733 201.04263 1807636.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1734 201.06636 510108.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1735 210.04311 1974682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1736 210.0668 342264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1737 211.05078 355209.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1738 216.06657 1168439.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1739 246.07988 182890.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1740 272.0834 1282380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1741 273.06769 795436.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1742 273.0907 1168355.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1743 274.07443 221912.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1744 275.08304 260482.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1745 287.08322 453884.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1746 288.06744 172169.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1747 300.07855 1244681.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1748 301.08551 3241347.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1749 312.07855 219216.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1750 315.10245 205186.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1751 316.10916 292099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1752 328.07382 3766201.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1753 329.08087 15964814.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1754 344.10461 2718360.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1755 372.10004 167044.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1756
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1757 SCANNUMBER: 7850
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1758 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1759 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1760 FORMULA: C20H23NO3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1761 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1762 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1763 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1764 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1765 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1766 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1767 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1768 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1769 COMPOUND_NAME: Benalaxyl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1770 RETENTION_TIME: 7.079875
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1771 PRECURSOR_MZ: 326.1756
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1772 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1773 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1774 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1775 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1776 91.05441 11560916.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1777 105.0702 367839.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1778 106.06546 647312.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1779 120.081 385637.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1780 121.08883 11501126.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1781 122.09673 517871.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1782 133.08878 546024.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1783 148.11217 23207426.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1784
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1785 SCANNUMBER: 6328
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1786 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1787 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1788 FORMULA: C18H12N2OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1789 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1790 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1791 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1792 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1793 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1794 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1795 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1796 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1797 COMPOUND_NAME: Boscalid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1798 RETENTION_TIME: 6.811709
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1799 PRECURSOR_MZ: 343.0408
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1800 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1801 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1802 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1803 NUM PEAKS: 27
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1804 96.04461 588528.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1805 111.99506 131288.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1806 112.03961 562594.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1807 114.01087 183518.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1808 130.00558 256565.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1809 139.99011 1220289.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1810 152.06248 66998.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1811 216.08105 60699.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1812 227.07349 93814.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1813 228.08148 96430.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1814 229.08876 93365.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1815 230.03716 77307.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1816 238.04195 58994.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1817 242.08464 181011.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1818 243.09259 680474.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1819 244.09969 317520.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1820 253.07672 424600.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1821 254.08458 657164.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1822 264.05807 118437.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1823 270.07944 187992.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1824 271.08762 5868577.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1825 272.09424 5476461.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1826 279.0686 68522.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1827 289.05276 1245064.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1828 305.04871 107573.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1829 306.05643 72921.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1830 307.06335 2958245.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1831
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1832 SCANNUMBER: 2756
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1833 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1834 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1835 FORMULA: C12H16N2O3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1836 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1837 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1838 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1839 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1840 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1841 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1842 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1843 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1844 COMPOUND_NAME: Carbetamide
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1845 RETENTION_TIME: 3.923062
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1846 PRECURSOR_MZ: 237.1238
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1847 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1848 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1849 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1850 NUM PEAKS: 12
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1851 85.07622 86855.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1852 100.07591 86451.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1853 118.08654 1614784.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1854 120.04464 757563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1855 126.01047 99599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1856 138.05496 54640.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1857 144.06567 88684.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1858 164.0705 45687.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1859 192.0659 2143350.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1860 237.07993 102575.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1861 237.09068 314588.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1862 237.12401 187935.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1863
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1864 SCANNUMBER: 6914
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1865 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1866 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1867 FORMULA: C15H14N3O3Cl2F3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1868 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1869 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1870 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1871 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1872 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1873 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1874 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1875 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1876 COMPOUND_NAME: Carfentrazone ethyl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1877 RETENTION_TIME: 6.898515
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1878 PRECURSOR_MZ: 412.045
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1879 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1880 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1881 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1882 NUM PEAKS: 75
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1883 87.03558 102938.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1884 92.03108 108928.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1885 140.99028 93612.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1886 168.00159 290200.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1887 168.98535 256214.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1888 169.00954 280404.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1889 169.99326 139258.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1890 176.0387 59605.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1891 176.96758 2472383.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1892 183.0123 267100.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1893 183.99632 81664.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1894 186.01216 91455.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1895 194.98845 136592.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1896 195.99637 326492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1897 197.00471 52605.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1898 201.9623 154634.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1899 203.97847 447264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1900 204.96245 1832179.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1901 206.02895 92544.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1902 207.03662 171674.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1903 209.02803 384802.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1904 209.99982 113563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1905 211.00719 472507.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1906 212.01517 66934.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1907 213.00288 312895.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1908 214.01096 51013.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1909 215.02534 55407.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1910 220.9915 95557.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1911 221.97609 58129.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1912 222.00006 181469.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1913 223.00748 74723.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1914 223.9912 1241221.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1915 226.03568 99992.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1916 227.98999 56867.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1917 228.9734 154659.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1918 228.99759 849754.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1919 229.9576 291454.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1920 230.96507 364210.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1921 231.97353 309882.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1922 232.98094 634253.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1923 233.00957 190835.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1924 233.99303 64478.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1925 236.01566 50291.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1926 239.00291 79639.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1927 240.99757 4112806.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1928 242.00581 1279056.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1929 246.98367 100821.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1930 248.98016 83634.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1931 248.9865 48588.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1932 249.9944 112801.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1933 251.02658 84213.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1934 252.03403 720952.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1935 256.96869 464576.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1936 257.95212 120792.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1937 258.96021 600062.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1938 261.00433 486923.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1939 268.00449 56951.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1940 268.99277 70677.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1941 270.00082 107703.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1942 270.98462 439596.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1943 274.97897 367619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1944 276.97476 4577284.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1945 280.02945 127558.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1946 282.0246 396042.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1947 284.96323 117220.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1948 288.01102 1894072.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1949 290.03122 319337.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1950 298.97946 85527.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1951 302.03137 2921622.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1952 303.0383 181158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1953 316.00662 372285.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1954 318.00153 484008.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1955 320.04153 58056.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1956 338.00775 410316.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1957 345.99677 2618042.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1958
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1959 SCANNUMBER: 5260
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1960 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1961 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1962 FORMULA: C18H14N5O2BrCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1963 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1964 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1965 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1966 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1967 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1968 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1969 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1970 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1971 COMPOUND_NAME: Chlorantraniliprole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1972 RETENTION_TIME: 6.589343
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1973 PRECURSOR_MZ: 481.9785
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1974 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1975 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1976 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1977 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1978 283.92297 5735542.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1979 450.93774 4907420.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1980 463.96796 71876.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1981 481.97949 1501231.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1982
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1983 SCANNUMBER: 9818
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1984 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1985 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1986 FORMULA: C14H8N4Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1987 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1988 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1989 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1990 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1991 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1992 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1993 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1994 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1995 COMPOUND_NAME: Clofentezine
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1996 RETENTION_TIME: 7.397017
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	1997 PRECURSOR_MZ: 303.0207
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1998 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	1999 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2000 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2001 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2002 92.0498 44376.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2003 102.03414 382179.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2004 120.04463 495630.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2005 130.04021 2783936.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2006 138.01057 2494447.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2007
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2008 SCANNUMBER: 5584
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2009 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2010 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2011 FORMULA: C14H15N3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2012 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2013 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2014 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2015 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2016 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2017 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2018 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2019 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2020 COMPOUND_NAME: Cyprodinil
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2021 RETENTION_TIME: 6.669806
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2022 PRECURSOR_MZ: 226.1346
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2023 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2024 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2025 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2026 NUM PEAKS: 68
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2027 89.03882 250501.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2028 91.05441 2917894.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2029 92.0498 1832571.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2030 92.06236 327913.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2031 93.0575 7935048.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2032 94.06544 551055.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2033 95.04928 1106686.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2034 104.04984 578815.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2035 105.04505 751939.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2036 106.06546 3348979.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2037 107.07314 366893.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2038 108.06842 996581.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2039 108.08108 5293585.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2040 109.0761 435067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2041 110.06014 373109.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2042 115.0543 340655.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2043 116.0497 1136768.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2044 117.0574 936588.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2045 118.05279 3491518.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2046 118.06519 1243941.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2047 119.06059 3591314.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2048 123.09197 364628.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2049 124.07606 563904.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2050 130.06528 192669.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2051 131.06062 1377516.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2052 132.06825 1932161.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2053 133.07642 3211678.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2054 134.06033 753709.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2055 142.06525 584454.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2056 143.06068 1778669.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2057 143.07307 279220.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2058 144.05594 191195.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2059 144.08099 2104332.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2060 145.07616 882365.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2061 149.07127 251299.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2062 156.06825 169085.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2063 157.0762 329957.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2064 158.0838 181590.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2065 159.09198 963940.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2066 165.06998 303199.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2067 167.06058 287846.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2068 167.07332 1087973.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2069 168.06824 523675.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2070 168.08109 896186.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2071 169.07619 575896.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2072 170.0843 204211.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2073 171.09184 238779.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2074 181.07629 410526.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2075 182.08427 540213.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2076 182.09682 243307.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2077 183.07944 619682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2078 183.09206 583441.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2079 184.08746 1461784.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2080 185.10789 904319.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2081 191.07323 180652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2082 193.07642 1237200.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2083 194.08405 2240403.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2084 196.08698 270421.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2085 197.09528 430359.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2086 198.10313 664506.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2087 199.11044 212040.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2088 207.0918 1191559.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2089 208.10004 666594.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2090 209.10754 1644491.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2091 210.10275 4134248.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2092 211.11086 699261.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2093 224.1181 912227.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2094 226.13422 16374867.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2095
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2096 SCANNUMBER: 614
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2097 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2098 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2099 FORMULA: C6H10N6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2100 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2101 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2102 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2103 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2104 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2105 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2106 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2107 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2108 COMPOUND_NAME: Cyromazine_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2109 RETENTION_TIME: 0.7250975
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2110 PRECURSOR_MZ: 167.1043
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2111 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2112 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2113 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2114 NUM PEAKS: 9
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2115 85.05116 569181.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2116 108.05576 364390.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2117 110.0462 49797.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2118 125.08251 178192.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2119 127.07288 24861.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2120 139.07271 33973.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2121 150.0777 7345.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2122 151.07292 35146.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2123 167.10403 54669.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2124
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2125 SCANNUMBER: 946
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2126 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2127 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2128 FORMULA: C6H10N6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2129 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2130 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2131 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2132 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2133 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2134 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2135 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2136 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2137 COMPOUND_NAME: Cyromazine_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2138 RETENTION_TIME: 1.057777
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2139 PRECURSOR_MZ: 167.1043
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2140 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2141 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2142 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2143 NUM PEAKS: 12
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2144 85.05095 323769.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2145 100.08693 5287.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2146 108.05576 223896.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2147 110.0462 30873.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2148 112.06189 4105.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2149 125.08213 95867.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2150 127.07288 11228.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2151 139.07271 22781.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2152 150.0777 3986.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2153 151.07292 16833.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2154 155.01868 3272.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2155 167.10403 33800.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2156
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2157 SCANNUMBER: 7508
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2158 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2159 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2160 FORMULA: C19H22N2O3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2161 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2162 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2163 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2164 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2165 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2166 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2167 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2168 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2169 COMPOUND_NAME: Dimoxystrobin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2170 RETENTION_TIME: 7.042906
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2171 PRECURSOR_MZ: 327.1716
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2172 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2173 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2174 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2175 NUM PEAKS: 25
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2176 89.03882 267042.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2177 91.05465 1177860.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2178 92.05786 587003.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2179 106.06546 63219.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2180 116.0497 4287725.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2181 117.0574 207058.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2182 118.06553 62777.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2183 121.06523 72575.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2184 121.08883 992075.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2185 122.09238 613096.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2186 134.06033 559976.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2187 135.08092 79495.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2188 148.07639 58182.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2189 148.11266 1671042.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2190 149.10986 53924.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2191 149.11572 1649040.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2192 178.0778 129475.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2193 180.08119 207313.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2194 193.10162 104706.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2195 194.09711 110382.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2196 195.10469 223024.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2197 221.09647 105352.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2198 222.09152 46935.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2199 222.10396 66419.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2200 223.09956 719508.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2201
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2202 SCANNUMBER: 11226
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2203 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2204 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2205 FORMULA: C20H22N2O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2206 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2207 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2208 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2209 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2210 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2211 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2212 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2213 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2214 COMPOUND_NAME: Fenazaquin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2215 RETENTION_TIME: 7.977267
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2216 PRECURSOR_MZ: 307.1813
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2217 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2218 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2219 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2220 NUM PEAKS: 14
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2221 91.05441 199112.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2222 103.05439 73599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2223 104.04984 64148.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2224 105.0702 917430.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2225 117.06997 181158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2226 119.0857 712865.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2227 121.10135 76811.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2228 130.02905 143777.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2229 131.08598 2116571.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2230 133.10155 485868.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2231 145.10149 85536.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2232 146.10915 4833104.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2233 147.05551 4215618.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2234 161.13255 3701806.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2235
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2236 SCANNUMBER: 5614
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2237 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2238 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2239 FORMULA: C14H17NO2Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2240 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2241 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2242 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2243 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2244 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2245 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2246 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2247 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2248 COMPOUND_NAME: Fenhexamid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2249 RETENTION_TIME: 6.679342
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2250 PRECURSOR_MZ: 302.0717
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2251 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2252 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2253 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2254 NUM PEAKS: 6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2255 95.01299 111399.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2256 97.10134 4001007.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2257 142.00574 470488.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2258 143.0134 1124724.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2259 177.98218 162637.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2260 302.0708 49250.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2261
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2262 SCANNUMBER: 10879
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2263 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2264 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2265 FORMULA: C24H27N3O4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2266 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2267 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2268 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2271 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2272 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2273 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2274 COMPOUND_NAME: Fenpyroximate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2275 RETENTION_TIME: 7.825895
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2276 PRECURSOR_MZ: 422.2081
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2277 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2278 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2279 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2280 NUM PEAKS: 90
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2281 91.04206 117996.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2282 91.05465 106024.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2283 92.0498 87696.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2284 93.05774 260654.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2285 94.04169 108699.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2286 95.04953 62385.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2287 95.06073 350683.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2288 96.06861 923552.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2289 104.04984 232471.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2290 106.06546 218843.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2291 107.02439 77423.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2292 107.04966 430579.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2293 109.04004 148437.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2294 110.0716 266167.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2295 111.05566 267693.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2296 112.06348 143921.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2297 113.07121 165810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2298 117.05774 475621.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2299 118.06553 207059.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2300 121.0638 98676.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2301 121.07632 211577.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2302 122.07175 1015735.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2303 123.05569 588803.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2304 124.05084 136544.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2305 129.05762 234973.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2306 130.06567 646047.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2307 131.06102 64470.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2308 131.07352 162979.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2309 132.04504 124496.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2310 132.06866 204911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2311 135.04469 1656891.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2312 136.05099 82782.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2313 137.05911 95506.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2314 138.06671 5569473.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2315 139.0507 103856.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2316 141.05769 86459.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2317 142.05298 63910.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2318 142.0657 196862.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2319 143.06068 233150.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2320 143.07355 214610.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2321 144.0448 925002.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2322 144.06847 64229.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2323 144.08099 258802.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2324 145.0527 116335.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2325 145.06537 86828.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2326 145.07661 796518.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2327 146.06033 143788.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2328 146.08401 227348.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2329 155.04976 327910.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2330 155.06065 279544.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2331 156.06877 75745.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2332 157.05295 67758.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2333 157.0614 631707.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2334 157.0762 440265.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2335 158.06033 63862.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2336 158.08434 1135306.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2337 159.06828 1092296.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2338 159.09198 191557.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2339 160.07613 68662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2340 169.07677 248853.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2341 170.06049 475510.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2342 170.0843 65958.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2343 171.05582 124587.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2344 171.09184 186652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2345 172.07626 63322.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2346 172.08717 90299.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2347 173.07166 613565.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2348 174.07939 186701.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2349 174.10281 124566.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2350 183.0555 60224.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2351 185.0714 282332.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2352 186.05576 83272.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2353 186.10275 837404.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2354 187.08711 307005.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2355 187.11115 179545.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2356 188.08208 68182.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2357 188.09454 56664.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2358 189.10245 172485.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2359 197.0715 161124.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2360 198.07919 265419.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2361 199.07426 148687.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2362 199.08707 368116.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2363 200.08215 638373.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2364 201.10309 239504.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2365 202.09793 790032.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2366 214.09836 4878472.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2367 215.10576 1548726.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2368 230.09335 285190.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2369 231.10078 772223.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2370 366.14682 271014.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2371
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2372 SCANNUMBER: 1609
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2373 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2374 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2375 FORMULA: C9H6N3OF3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2376 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2377 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2378 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2379 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2380 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2381 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2382 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2383 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2384 COMPOUND_NAME: Flonicamid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2385 RETENTION_TIME: 1.603478
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2386 PRECURSOR_MZ: 230.054
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2387 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2388 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2389 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2390 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2391 98.04052 1513015.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2392 101.01998 130358.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2393 126.03515 270418.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2394 128.0309 1130827.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2395 129.03873 894240.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2396 134.04785 187862.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2397 135.03584 106359.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2398 136.04333 85854.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2399 140.03102 72212.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2400 144.02579 576288.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2401 146.02148 1739781.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2402 147.02966 723489.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2403 148.03722 5717933.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2404 153.04604 178370.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2405 155.04199 750642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2406 156.02586 62411.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2407 164.03217 431199.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2408 174.01654 1374723.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2409 175.0481 152887.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2410 176.0318 1685318.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2411 183.0369 1014810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2412 203.04269 761411.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2413
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2414 SCANNUMBER: 7721
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2415 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2416 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2417 FORMULA: C21H16N4O5ClF
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2418 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2419 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2420 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2421 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2422 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2423 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2424 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2425 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2426 COMPOUND_NAME: Fluoxastrobin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2427 RETENTION_TIME: 7.061409
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2428 PRECURSOR_MZ: 459.0882
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2429 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2430 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2431 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2432 NUM PEAKS: 85
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2433 90.03426 262008.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2434 93.0339 81235.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2435 95.04953 126363.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2436 104.04984 132927.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2437 105.04505 96553.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2438 106.02911 119639.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2439 111.04436 132213.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2440 118.05279 109270.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2441 119.03689 143696.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2442 120.04464 501451.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2443 122.04026 150489.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2444 129.01041 330269.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2445 129.04503 292390.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2446 130.02905 326516.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2447 130.04021 649052.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2448 132.04463 118853.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2449 134.04034 93930.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2450 138.011 2207225.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2451 138.99483 184424.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2452 139.00627 992155.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2453 144.03229 102927.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2454 145.04005 956703.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2455 150.03526 1178492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2456 151.00616 106379.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2457 154.04019 85122.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2458 157.04028 88434.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2459 159.036 96008.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2460 160.02722 141264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2461 160.04352 103289.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2462 161.03488 323066.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2463 162.03548 140596.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2464 162.04268 203634.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2465 162.0554 114359.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2466 163.00633 194952.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2467 163.05046 168483.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2468 164.03441 768408.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2469 168.00159 464518.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2470 170.03549 190735.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2471 175.03069 390492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2472 176.0387 156295.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2473 178.02998 1064297.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2474 179.00104 397625.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2475 183.99632 171687.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2476 188.03847 7591765.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2477 188.05785 92062.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2478 189.04591 91704.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2479 190.04181 129380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2480 191.02574 180590.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2481 202.04166 121581.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2482 205.04123 347646.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2483 205.06093 241613.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2484 214.00674 231209.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2485 214.0412 97985.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2486 216.05721 78878.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2487 218.03612 98376.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2488 223.00748 102872.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2489 223.9912 115573.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2490 225.05933 90781.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2491 228.04449 112509.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2492 229.02827 136264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2493 230.03622 724472.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2494 240.04454 142077.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2495 241.05283 128789.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2496 244.05261 88750.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2497 246.0312 274116.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2498 251.06181 83031.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2499 252.06947 77596.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2500 255.03178 103007.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2501 257.04721 91609.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2502 266.01273 226670.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2503 274.06223 117152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2504 277.06509 115503.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2505 278.07285 221625.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2506 279.05734 137186.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2507 280.06467 243149.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2508 304.0531 127719.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2509 306.0679 3047910.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2510 313.04251 87383.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2511 315.03339 303129.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2512 318.06851 266951.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2513 331.0636 304000.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2514 340.02972 444209.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2515 342.04449 118004.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2516 367.03973 216560.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2517 383.03424 104628.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2518
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2519 SCANNUMBER: 3979
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2520 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2521 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2522 FORMULA: C17H16NO2F3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2523 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2524 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2525 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2526 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2527 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2528 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2529 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2530 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2531 COMPOUND_NAME: Flutolanil
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2532 RETENTION_TIME: 6.193638
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2533 PRECURSOR_MZ: 324.1214
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2534 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2535 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2536 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2537 NUM PEAKS: 12
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2538 111.04436 4020810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2539 121.03985 3392917.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2540 130.02905 2402830.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2541 145.02599 877135.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2542 166.06538 168609.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2543 173.02094 3306207.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2544 194.0601 203214.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2545 214.06641 383897.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2546 222.05511 217155.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2547 242.05533 161728.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2548 242.06139 15929322.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2549 262.06796 878870.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2550
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2551 SCANNUMBER: 3970
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2552 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2553 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2554 FORMULA: C17H19NO4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2555 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2556 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2557 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2558 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2559 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2560 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2561 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2562 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2563 COMPOUND_NAME: Furalaxyl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2564 RETENTION_TIME: 6.193638
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2565 PRECURSOR_MZ: 302.1392
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2566 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2567 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2568 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2569 NUM PEAKS: 1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2570 95.01299 22120298.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2571
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2572 SCANNUMBER: 2732
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2573 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2574 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2575 FORMULA: C14H14N2OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2576 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2577 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2578 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2579 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2580 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2581 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2582 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2583 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2584 COMPOUND_NAME: Imazalil
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2585 RETENTION_TIME: 3.913752
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2586 PRECURSOR_MZ: 297.0566
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2587 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2588 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2589 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2590 NUM PEAKS: 17
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2591 102.04659 83349.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2592 109.0761 370634.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2593 122.99966 169161.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2594 129.07021 173674.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2595 137.01562 175055.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2596 138.02319 151710.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2597 141.0703 676682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2598 149.01559 103927.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2599 150.02344 201572.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2600 158.97626 8128112.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2601 164.03893 173925.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2602 172.99223 1736974.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2603 175.03131 122074.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2604 176.0387 901695.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2605 186.97179 139839.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2606 200.98682 142186.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2607 255.00883 411510.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2608
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2609 SCANNUMBER: 2109
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2610 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2611 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2612 FORMULA: C9H10N5O2Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2613 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2614 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2615 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2616 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2617 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2618 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2619 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2620 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2621 COMPOUND_NAME: Imidacloprid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2622 RETENTION_TIME: 3.079668
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2623 PRECURSOR_MZ: 256.0602
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2624 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2625 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2626 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2627 NUM PEAKS: 36
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2628 99.05553 45726.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2629 105.04505 49039.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2630 106.06546 54345.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2631 107.06065 64812.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2632 113.00283 42520.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2633 119.04804 44604.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2634 119.06059 69901.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2635 120.05593 48869.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2636 126.01085 269914.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2637 127.01869 53555.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2638 128.02625 263416.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2639 131.06062 65155.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2640 132.05562 39478.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2641 133.06364 158210.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2642 133.076 126641.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2643 134.07159 138270.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2644 141.02173 133666.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2645 146.05891 66316.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2646 146.0717 317182.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2647 147.06651 418911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2648 148.08702 165957.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2649 158.07153 211685.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2650 159.06667 39062.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2651 159.07906 265140.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2652 166.01717 43422.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2653 167.03738 137027.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2654 173.08266 507123.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2655 174.09048 481291.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2656 175.09782 2784924.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2657 180.03256 49532.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2658 181.02791 160573.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2659 191.09306 100802.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2660 194.04849 73037.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2661 208.05171 91411.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2662 209.05724 1316587.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2663 209.05885 3531093.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2664
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2665 SCANNUMBER: 7168
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2666 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2667 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2668 FORMULA: C23H22NO4Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2669 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2670 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2671 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2672 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2673 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2674 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2675 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2676 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2677 COMPOUND_NAME: Mandipropamid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2678 RETENTION_TIME: 6.964275
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2679 PRECURSOR_MZ: 412.1314
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2680 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2681 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2682 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2683 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2684 204.10207 530532.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2685 328.11053 16472820.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2686 356.10495 7175862.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2687 412.04471 215694.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2688 412.13226 2828841.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2689
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2690 SCANNUMBER: 7089
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2691 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2692 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2693 FORMULA: C14H13N3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2694 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2695 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2696 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2697 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2698 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2699 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2700 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2701 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2702 COMPOUND_NAME: Mepanipyrim
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2703 RETENTION_TIME: 6.936112
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2704 PRECURSOR_MZ: 224.1185
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2705 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2706 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2707 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2708 NUM PEAKS: 102
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2709 89.03882 517274.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2710 90.03403 2492239.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2711 91.04182 279822.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2712 91.05441 689902.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2713 92.0498 1156467.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2714 93.0575 1581720.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2715 94.04169 907699.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2716 94.06544 4247548.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2717 95.04928 7648441.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2718 96.04461 836099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2719 104.04984 9863130.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2720 105.04505 4799141.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2721 105.05748 280682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2722 106.05285 481449.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2723 106.06546 21345988.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2724 107.06065 1636304.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2725 107.07314 792818.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2726 115.05464 3041902.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2727 116.0497 1214108.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2728 117.0574 623912.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2729 118.05279 352181.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2730 118.06553 2089902.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2731 119.06059 6016274.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2732 121.07632 4716914.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2733 122.06017 546355.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2734 124.07606 570495.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2735 128.04958 351035.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2736 128.06239 268794.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2737 129.04503 342815.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2738 129.05762 223642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2739 129.07021 809903.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2740 130.04021 505143.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2741 130.05293 226615.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2742 130.06528 631733.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2743 131.06062 6745162.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2744 132.06825 1922003.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2745 139.05466 759207.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2746 139.08679 888214.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2747 140.0497 2660486.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2748 141.05769 432867.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2749 142.06525 4535240.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2750 143.06068 6551342.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2751 143.07307 827696.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2752 146.06033 239932.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2753 146.0717 582762.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2754 147.07945 1981982.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2755 149.07127 472905.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2756 152.06248 907036.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2757 153.06992 747588.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2758 154.06532 634466.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2759 155.06065 477098.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2760 156.06825 343240.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2761 156.08081 938982.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2762 157.0762 689823.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2763 157.08888 215289.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2764 158.08434 241364.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2765 159.09198 967686.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2766 160.07613 1334605.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2767 165.05745 274138.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2768 166.06538 1659086.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2769 167.06058 783829.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2770 167.07332 1978108.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2771 168.06824 5290008.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2772 168.08109 220063.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2773 169.06438 286507.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2774 169.07619 592750.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2775 170.0968 225887.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2776 178.06569 490619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2777 179.06082 272597.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2778 179.07304 1573880.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2779 180.08119 4503916.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2780 181.07629 4276790.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2781 181.08871 558180.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2782 182.08427 8178091.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2783 182.09682 299282.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2784 183.07944 1118528.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2785 183.09206 3652070.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2786 184.08746 3084619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2787 184.09952 366883.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2788 185.0714 378043.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2789 190.06572 671329.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2790 191.06046 256444.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2791 191.07323 287427.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2792 192.06876 5238670.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2793 193.07642 340761.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2794 194.0717 335171.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2795 194.08405 455850.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2796 195.09225 1664615.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2797 196.0995 1003846.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2798 197.09528 319437.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2799 197.10789 734438.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2800 205.07669 7605397.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2801 206.08452 12079029.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2802 207.0798 627312.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2803 207.0918 5892684.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2804 208.08714 6327165.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2805 208.09923 895713.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2806 209.09537 7619410.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2807 221.09558 532629.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2808 222.10307 5281894.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2809 223.11121 2054946.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2810 224.119 13923746.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2811
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2812 SCANNUMBER: 1471
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2813 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2814 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2815 FORMULA: C7H14N4O3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2816 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2817 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2818 SMILES: CN=C(NN(=O)=O)NCC1COCC1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2819 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2820 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2821 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2822 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2823 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2824 COMPOUND_NAME: Dinotefuran
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2825 RETENTION_TIME: 1.502809
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2826 PRECURSOR_MZ: 203.1141
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2827 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2828 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2829 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2830 NUM PEAKS: 13
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2831 87.07939 212770.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2832 100.0872 147065.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2833 101.09495 14292.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2834 112.08705 103076.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2835 113.09509 522233.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2836 114.10273 536607.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2837 127.11057 50518.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2838 128.11842 69200.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2839 129.08989 1106553.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2840 129.12611 128089.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2841 157.12112 345152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2842 173.11627 46987.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2843 203.11415 399504.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2844
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2845 SCANNUMBER: 8648
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2846 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2847 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2848 FORMULA: C24H16N4O2F6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2849 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2850 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2851 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2852 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2853 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2854 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2855 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2856 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2857 COMPOUND_NAME: Metaflumizone
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2858 RETENTION_TIME: 7.19479
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2859 PRECURSOR_MZ: 507.1251
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2860 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2861 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2862 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2863 NUM PEAKS: 33
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2864 89.03882 112603.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2865 92.0498 159120.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2866 93.0575 96261.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2867 110.06045 137716.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2868 116.0497 2188022.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2869 128.04958 82526.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2870 159.04192 72170.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2871 171.04201 111513.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2872 174.05289 67561.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2873 176.03242 127986.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2874 177.04025 145377.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2875 178.04784 4081576.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2876 190.065 44917.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2877 191.07323 105042.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2878 204.02695 55744.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2879 218.08452 1276107.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2880 219.09236 53088.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2881 220.05638 42611.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2882 221.05324 329863.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2883 233.05731 59799.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2884 238.06659 64784.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2885 240.06252 447032.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2886 245.07082 222043.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2887 247.06392 273902.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2888 247.06705 1414469.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2889 260.0687 348712.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2890 267.07318 2569566.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2891 273.06406 84541.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2892 273.07617 78440.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2893 286.07156 143270.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2894 287.07932 2154516.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2895 288.0871 575359.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2896 330.08609 207585.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2897
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2898 SCANNUMBER: 3592
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2899 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2900 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2901 FORMULA: C15H21NO4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2902 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2903 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2904 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2905 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2906 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2907 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2908 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2909 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2910 COMPOUND_NAME: Metalaxyl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2911 RETENTION_TIME: 5.550616
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2912 PRECURSOR_MZ: 280.1547
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2913 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2914 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2915 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2916 NUM PEAKS: 24
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2917 91.05441 81742.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2918 105.06991 446715.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2919 117.0574 85397.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2920 118.06519 181419.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2921 119.0857 203031.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2922 120.081 86040.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2923 121.08883 168662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2924 130.06528 459915.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2925 131.0731 294735.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2926 132.08089 1629425.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2927 133.08878 1053467.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2928 134.09659 2186175.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2929 144.08099 390383.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2930 145.08881 2412390.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2931 146.09682 729220.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2932 147.10434 123350.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2933 148.11217 2255058.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2934 150.09151 223495.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2935 158.0966 105904.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2936 160.11201 8036024.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2937 162.12798 1800051.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2938 164.10716 139534.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2939 192.13879 614235.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2940 220.13348 136200.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2941
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2942 SCANNUMBER: 4181
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2943 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2944 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2945 FORMULA: C15H17N4Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2946 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2947 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2948 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2949 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2950 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2951 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2952 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2953 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2954 COMPOUND_NAME: Myclobutanil
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2955 RETENTION_TIME: 6.259462
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2956 PRECURSOR_MZ: 289.1221
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2957 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2958 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2959 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2960 NUM PEAKS: 18
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2961 89.03882 46919.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2962 98.99973 29039.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2963 115.05431 84807.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2964 116.06212 93918.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2965 125.01308 47666.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2966 125.01533 2894088.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2967 128.04958 45144.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2968 130.06528 66651.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2969 137.01562 42490.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2970 149.01559 47429.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2971 150.0106 90969.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2972 151.03107 531808.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2973 153.06992 32172.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2974 164.02652 222253.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2975 166.04185 38601.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2976 168.09337 31175.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2977 175.03131 41390.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2978 178.04208 93247.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2979
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2980 SCANNUMBER: 3029
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2981 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2982 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2983 FORMULA: C14H18N2O4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2984 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2985 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2986 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2987 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2988 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2989 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2990 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2991 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2992 COMPOUND_NAME: Oxadixyl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2993 RETENTION_TIME: 4.402048
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2994 PRECURSOR_MZ: 279.1344
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2995 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2996 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	2997 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2998 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	2999 102.05517 448694.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3000 132.08089 139055.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3001 133.08878 111093.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3002 160.07613 49235.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3003 192.10234 94587.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3004 219.11325 4470994.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3005 279.13367 216370.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3006
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3007 SCANNUMBER: 7968
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3008 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3009 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3010 FORMULA: C15H16N3O2Cl3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3011 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3012 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3013 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3014 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3015 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3016 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3017 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3018 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3019 COMPOUND_NAME: Prochloraz
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3020 RETENTION_TIME: 7.089308
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3021 PRECURSOR_MZ: 376.0388
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3022 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3023 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3024 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3025 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3026 265.95453 2776909.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3027 308.00125 53942956.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3028 376.03964 3704219.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3029
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3030 SCANNUMBER: 2214
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3031 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3032 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3033 FORMULA: C10H19N5O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3034 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3035 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3036 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3037 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3038 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3039 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3040 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3041 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3042 COMPOUND_NAME: Prometon_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3043 RETENTION_TIME: 3.185351
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3044 PRECURSOR_MZ: 226.1667
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3045 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3046 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3047 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3048 NUM PEAKS: 16
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3049 85.05116 254026.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3050 85.07622 1248785.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3051 86.03511 7693232.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3052 96.05572 2045746.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3053 97.03974 2776563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3054 99.06665 1175450.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3055 100.05066 9824308.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3056 110.04619 496522.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3057 110.0716 223643.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3058 114.06643 4195590.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3059 128.08185 3094754.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3060 138.07761 783556.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3061 142.07253 19868644.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3062 168.0881 278497.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3063 170.10394 12296676.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3064 184.11964 1858746.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3065
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3066 SCANNUMBER: 2376
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3067 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3068 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3069 FORMULA: C10H19N5O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3070 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3071 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3072 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3073 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3074 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3075 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3076 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3077 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3078 COMPOUND_NAME: Prometon_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3079 RETENTION_TIME: 3.288845
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3080 PRECURSOR_MZ: 226.1663
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3081 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3082 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3083 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3084 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3085 85.05116 203704.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3086 85.07622 1795800.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3087 86.03511 4360152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3088 96.05572 3992152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3089 97.03974 3296917.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3090 99.06665 489124.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3091 100.05066 11922340.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3092 110.04619 311190.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3093 110.0716 143123.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3094 113.0825 152844.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3095 114.06643 5615716.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3096 125.0461 170765.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3097 127.09787 169642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3098 128.08185 4145137.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3099 129.0112 167032.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3100 138.07761 953215.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3101 142.07253 8482599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3102 153.07755 208846.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3103 168.0881 343548.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3104 170.10394 12923365.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3105 184.11964 137608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3106 226.16615 243943.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3107
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3108 SCANNUMBER: 1328
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3109 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3110 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3111 FORMULA: C10H11N5O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3112 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3113 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3114 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3115 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3116 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3117 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3118 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3119 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3120 COMPOUND_NAME: Pymetrozine
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3121 RETENTION_TIME: 1.373368
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3122 PRECURSOR_MZ: 218.1044
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3123 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3124 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3125 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3126 NUM PEAKS: 2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3127 96.04461 383408.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3128 105.04506 15166273.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3129
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3130 SCANNUMBER: 3243
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3131 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3132 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3133 FORMULA: C13H15NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3134 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3135 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3136 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3137 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3138 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3139 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3140 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3141 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3142 COMPOUND_NAME: Pyracarbolid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3143 RETENTION_TIME: 4.72542
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3144 PRECURSOR_MZ: 218.1182
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3145 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3146 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3147 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3148 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3149 92.04956 222486.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3150 95.04928 559755.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3151 97.02871 2882447.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3152 97.06489 514552.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3153 105.04477 279492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3154 107.04936 2653095.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3155 115.03907 949155.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3156 125.05998 14590636.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3157
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3158 SCANNUMBER: 3684
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3159 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3160 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3161 FORMULA: C12H13N3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3162 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3163 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3164 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3165 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3166 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3167 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3168 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3169 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3170 COMPOUND_NAME: Pyrimethanil
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3171 RETENTION_TIME: 5.598423
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3172 PRECURSOR_MZ: 200.1186
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3173 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3174 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3175 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3176 NUM PEAKS: 43
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3177 91.05441 269141.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3178 92.0498 1006183.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3179 93.0575 798806.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3180 95.04928 864623.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3181 105.04505 538940.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3182 107.06065 6806452.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3183 115.05464 651194.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3184 116.0497 189558.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3185 117.0574 297627.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3186 118.05279 470418.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3187 118.06519 941436.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3188 119.06059 1862863.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3189 125.07124 2658422.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3190 129.07021 373721.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3191 131.06062 510426.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3192 132.08089 163131.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3193 139.05466 180641.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3194 140.0497 332716.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3195 141.05769 348146.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3196 142.06525 1271766.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3197 143.06068 2584610.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3198 143.07307 643411.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3199 154.06532 150404.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3200 155.06065 150810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3201 156.06825 358067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3202 156.08081 843618.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3203 158.08434 235445.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3204 158.0966 250403.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3205 159.09198 1057014.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3206 166.06538 692025.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3207 167.07332 885398.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3208 168.06824 6869380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3209 173.10771 334158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3210 173.50755 193551.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3211 181.07629 2021052.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3212 182.08163 471666.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3213 182.08427 7602030.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3214 183.09206 8147444.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3215 184.08679 232595.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3216 185.09505 609372.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3217 198.10313 499158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3218 199.11044 154902.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3219 200.11862 13352280.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3220
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3221 SCANNUMBER: 10159
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3222 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3223 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3224 FORMULA: C20H19NO3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3225 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3226 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3227 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3228 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3229 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3230 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3231 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3232 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3233 COMPOUND_NAME: Pyriproxyfen
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3234 RETENTION_TIME: 7.483148
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3235 PRECURSOR_MZ: 322.1441
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3236 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3237 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3238 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3239 NUM PEAKS: 21
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3240 91.05465 1995486.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3241 95.04953 2794273.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3242 96.04461 57722984.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3243 105.04505 1487815.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3244 105.0702 2138528.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3245 115.05464 2166874.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3246 119.04944 13154060.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3247 128.06239 2789226.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3248 129.07021 18069414.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3249 133.06531 2250340.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3250 134.07285 5007071.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3251 141.07028 4802710.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3252 153.07043 578116.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3253 155.06065 601649.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3254 157.06509 3489445.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3255 170.07298 834102.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3256 181.06517 682957.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3257 185.05991 13867037.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3258 186.06801 602621.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3259 194.07315 653455.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3260 199.07576 804230.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3261
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3262 SCANNUMBER: 5448
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3263 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3264 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3265 FORMULA: C17H19NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3266 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3267 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3268 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3271 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3272 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3273 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3274 COMPOUND_NAME: Mepronil
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3275 RETENTION_TIME: 6.63015
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3276 PRECURSOR_MZ: 270.1492
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3277 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3278 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3279 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3280 NUM PEAKS: 8
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3281 91.05465 4818532.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3282 107.04936 268915.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3283 108.0449 232011.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3284 109.0651 1528311.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3285 111.04436 177960.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3286 119.04979 16405699.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3287 119.0592 353581.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3288 136.03949 166339.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3289
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3290 SCANNUMBER: 3190
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3291 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3292 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3293 FORMULA: C18H35NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3294 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3295 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3296 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3297 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3298 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3299 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3300 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3301 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3302 COMPOUND_NAME: Spiroxamine_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3303 RETENTION_TIME: 4.628222
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3304 PRECURSOR_MZ: 298.2747
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3305 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3306 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3307 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3308 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3309 100.11219 10585697.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3310 102.09142 415934.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3311 126.12786 286929.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3312 144.13857 10367585.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3313
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3314 SCANNUMBER: 8797
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3315 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3316 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3317 FORMULA: C18H24N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3318 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3319 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3320 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3321 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3322 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3323 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3324 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3325 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3326 COMPOUND_NAME: Tebufenpyrad
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3327 RETENTION_TIME: 7.223254
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3328 PRECURSOR_MZ: 334.1692
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3329 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3330 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3331 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3332 NUM PEAKS: 17
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3333 90.01088 682936.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3334 91.05441 694638.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3335 105.0702 2926113.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3336 107.08593 482744.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3337 117.02172 17275010.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3338 117.06997 1213127.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3339 119.0857 4335492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3340 130.02946 271510.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3341 131.08559 179894.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3342 132.09351 4494128.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3343 145.05318 15327344.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3344 145.10149 224176.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3345 147.11679 8812113.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3346 171.03239 1499108.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3347 188.05853 456215.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3348 200.05861 396435.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3349 334.16821 933979.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3350
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3351 SCANNUMBER: 2214
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3352 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3353 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3354 FORMULA: C10H19N5O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3355 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3356 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3357 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3358 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3359 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3360 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3361 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3362 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3363 COMPOUND_NAME: Terbumeton_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3364 RETENTION_TIME: 3.185351
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3365 PRECURSOR_MZ: 226.1667
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3366 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3367 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3368 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3369 NUM PEAKS: 16
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3370 85.05116 254026.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3371 85.07622 1248785.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3372 86.03511 7693232.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3373 96.05572 2045746.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3374 97.03974 2776563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3375 99.06665 1175450.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3376 100.05066 9824308.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3377 110.04619 496522.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3378 110.0716 223643.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3379 114.06643 4195590.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3380 128.08185 3094754.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3381 138.07761 783556.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3382 142.07253 19868644.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3383 168.0881 278497.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3384 170.10394 12296676.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3385 184.11964 1858746.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3386
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3387 SCANNUMBER: 2376
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3388 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3389 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3390 FORMULA: C10H19N5O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3391 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3392 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3393 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3394 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3395 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3396 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3397 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3398 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3399 COMPOUND_NAME: Terbumeton_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3400 RETENTION_TIME: 3.288845
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3401 PRECURSOR_MZ: 226.1663
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3402 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3403 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3404 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3405 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3406 85.05116 203704.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3407 85.07622 1795800.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3408 86.03511 4360152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3409 96.05572 3992152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3410 97.03974 3296917.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3411 99.06665 489124.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3412 100.05066 11922340.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3413 110.04619 311190.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3414 110.0716 143123.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3415 113.0825 152844.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3416 114.06643 5615716.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3417 125.0461 170765.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3418 127.09787 169642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3419 128.08185 4145137.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3420 129.0112 167032.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3421 138.07761 953215.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3422 142.07253 8482599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3423 153.07755 208846.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3424 168.0881 343548.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3425 170.10394 12923365.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3426 184.11964 137608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3427 226.16615 243943.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3428
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3429 SCANNUMBER: 4753
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3430 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3431 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3432 FORMULA: C14H16N3O2Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3433 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3434 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3435 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3436 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3437 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3438 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3439 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3440 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3441 COMPOUND_NAME: Triadimefon
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3442 RETENTION_TIME: 6.495691
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3443 PRECURSOR_MZ: 294.101
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3444 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3445 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3446 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3447 NUM PEAKS: 34
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3448 91.05441 220380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3449 93.03366 110759.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3450 94.04145 226678.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3451 95.04928 293143.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3452 98.99973 2161492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3453 103.03109 47635.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3454 105.04505 158971.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3455 107.04936 77343.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3456 109.0651 56624.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3457 110.03504 91263.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3458 110.99978 78358.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3459 111.04436 239293.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3460 113.0154 1133437.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3461 119.04944 129126.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3462 119.06059 60561.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3463 120.05734 170448.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3464 121.03985 123630.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3465 125.01533 88037.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3466 126.99488 4331208.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3467 127.03099 234800.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3468 129.01041 2984985.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3469 133.10155 53571.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3470 137.01562 52817.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3471 139.00583 1903109.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3472 141.0105 4051184.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3473 146.07265 75724.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3474 147.08089 154110.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3475 155.02592 1609516.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3476 159.02092 270169.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3477 161.09631 105167.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3478 173.50877 58953.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3479 175.07544 124355.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3480 190.09877 46793.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3481 197.073 124633.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3482
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3483 SCANNUMBER: 8085
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3484 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3485 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3486 FORMULA: C20H19N2O4F3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3487 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3488 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3489 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3490 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3491 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3492 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3493 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3494 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3495 COMPOUND_NAME: Trifloxystrobin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3496 RETENTION_TIME: 7.117416
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3497 PRECURSOR_MZ: 409.1378
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3498 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3499 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3500 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3501 NUM PEAKS: 20
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3502 89.03905 311273.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3503 91.05465 552137.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3504 105.07049 281496.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3505 116.05004 3644672.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3506 117.05774 1059431.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3507 118.06553 996646.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3508 119.04944 261371.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3509 130.06567 752094.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3510 131.07352 3968814.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3511 132.04504 549533.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3512 132.08128 1313192.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3513 134.06033 476020.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3514 145.02644 9201794.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3515 146.06033 1786913.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3516 147.06844 435652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3517 161.0475 625467.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3518 163.03706 449951.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3519 173.03255 3885334.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3520 186.05302 16153518.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3521 206.08214 362046.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3522
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3523 SCANNUMBER: 7511
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3524 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3525 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3526 FORMULA: C14H16Cl3NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3527 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3528 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3529 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3530 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3531 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3532 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3533 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3534 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3535 COMPOUND_NAME: Zoxamide
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3536 RETENTION_TIME: 7.042906
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3537 PRECURSOR_MZ: 336.0327
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3538 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3539 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3540 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3541 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3542 122.99966 189624.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3543 158.97681 2350836.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3544 160.99211 84080.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3545 176.98717 132424.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3546 186.97179 7551578.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3547 186.98138 1310863.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3548 203.99802 105210.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3549
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3550 SCANNUMBER: 10658
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3551 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3552 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3553 FORMULA: C15H8NOCl2F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3554 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3555 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3556 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3557 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3558 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3559 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3560 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3561 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3562 COMPOUND_NAME: Quinoxyfen
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3563 RETENTION_TIME: 7.693292
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3564 PRECURSOR_MZ: 308.0046
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3565 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3566 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3567 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3568 NUM PEAKS: 28
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3569 113.04024 951160.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3570 123.00003 519051.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3571 123.03591 2234640.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3572 133.05254 505534.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3573 150.01109 1173838.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3574 162.01112 4388227.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3575 168.02145 1536952.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3576 178.01723 957090.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3577 183.97221 586345.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3578 184.97952 1042789.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3579 196.98022 34758736.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3580 209.06372 991608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3581 210.0717 743797.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3582 212.97452 543051.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3583 213.98238 16892596.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3584 217.02182 350576.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3585 219.02536 368183.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3586 225.03487 908834.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3587 237.05934 2476225.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3588 238.06659 390133.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3589 244.03317 3467599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3590 245.04095 5069296.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3591 253.02917 653474.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3592 254.03786 417640.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3593 272.02798 14312807.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3594 280.00934 1380984.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3595 287.99789 1053238.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3596 308.00415 16622164.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3597
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3598 SCANNUMBER: 10564
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3599 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3600 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3601 FORMULA: C23H22O6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3602 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3603 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3604 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3605 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3606 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3607 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3608 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3609 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3610 COMPOUND_NAME: Rotenone
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3611 RETENTION_TIME: 7.674882
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3612 PRECURSOR_MZ: 395.1498
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3613 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3614 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3615 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3616 NUM PEAKS: 118
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3617 91.05441 20240.0
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b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3621 103.05439 9409.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3622 105.04505 12948.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3623 105.0702 18947.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3624 107.04936 14407.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3625 108.05726 28276.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3626 109.0651 27746.0
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b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3628 118.04178 6690.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3629 119.04944 11358.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3630 119.0857 16350.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3631 121.06523 31422.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3632 122.03665 11422.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3633 123.04434 5563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3634 124.05232 66924.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3635 125.05998 10770.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3636 128.06239 12472.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3637 129.07021 21798.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3638 131.04935 9618.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3639 132.05725 6374.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3640 133.02864 9569.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3641 133.06488 59218.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3642 135.04427 48791.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3643 135.08092 12734.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3644 136.05228 31669.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3645 137.05997 22461.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3646 139.07579 190263.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3647 141.07028 6275.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3648 142.07797 14608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3649 143.08594 13615.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3650 144.05733 5067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3651 145.0649 8486.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3652 147.04451 61525.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3653 147.08089 94625.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3654 148.0522 39063.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3655 149.02341 19610.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3656 149.06003 21143.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3657 150.06783 16274.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3658 151.03905 10391.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3659 151.07541 203001.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3660 152.04688 7942.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3661 152.06248 13044.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3662 153.05467 9160.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3663 155.0705 50109.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3664 155.08604 5247.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3665 157.06509 11481.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3666 157.10156 7250.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3667 159.0446 58047.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3668 160.05222 12860.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3669 161.02338 80194.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3670 161.0601 108267.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3671 161.09631 10911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3672 162.0676 99660.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3673 163.03929 24087.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3674 163.07561 12092.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3675 164.04738 8000.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3676 165.05518 11042.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3677 165.06599 31937.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3678 165.09103 67666.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3679 167.03391 16070.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3680 167.07042 68033.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3681 167.08607 14650.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3682 169.06497 20549.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3683 170.07298 47466.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3684 171.0444 8000.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3685 171.08104 35499.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3686 173.06004 17137.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3687 174.06767 6932.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3688 175.03938 17059.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3689 175.07544 21766.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3690 176.04684 21189.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3691 177.05479 232262.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3692 178.05867 5911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3693 178.0625 25475.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3694 179.07047 162479.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3695 181.04948 12121.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3696 183.08076 4979.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3697 185.05991 48654.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3698 185.09641 26209.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3699 187.03905 10827.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3700 188.04747 5292.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3701 189.05499 13091.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3702 189.09126 53174.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3703 191.07039 460509.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3704 192.07661 134602.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3705 192.07805 420800.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3706 193.04977 5384.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3707 193.0865 52606.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3708 195.08057 343831.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3709 197.05963 10859.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3710 198.06796 244073.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3711 199.07576 11375.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3712 201.09085 5454.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3713 203.07065 271508.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3714 205.0499 11121.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3715 211.07547 11767.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3716 213.05545 8031.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3717 213.09134 496635.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3718 219.06538 18652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3719 220.07301 15899.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3720 223.07542 20667.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3721 226.06303 9493.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3722 229.08595 8069.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3723 241.08595 34858.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3724 309.07611 9652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3725 319.09708 7916.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3726 321.11215 19786.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3727 331.09756 10399.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3728 333.11328 6140.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3729 334.08463 6723.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3730 335.12769 6532.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3731 337.1073 11225.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3732 347.091 7782.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3733 349.10764 9303.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3734 377.13797 5836.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3735
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3736 SCANNUMBER: 2214
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3737 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3738 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3739 FORMULA: C10H19N5O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3740 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3741 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3742 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3743 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3744 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3745 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3746 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3747 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3748 COMPOUND_NAME: Secbumeton_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3749 RETENTION_TIME: 3.185351
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3750 PRECURSOR_MZ: 226.1667
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3751 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3752 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3753 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3754 NUM PEAKS: 16
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3755 85.05116 254026.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3756 85.07622 1248785.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3757 86.03511 7693232.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3758 96.05572 2045746.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3759 97.03974 2776563.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3760 99.06665 1175450.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3761 100.05066 9824308.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3762 110.04619 496522.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3763 110.0716 223643.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3764 114.06643 4195590.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3765 128.08185 3094754.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3766 138.07761 783556.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3767 142.07253 19868644.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3768 168.0881 278497.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3769 170.10394 12296676.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3770 184.11964 1858746.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3771
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3772 SCANNUMBER: 2376
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3773 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3774 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3775 FORMULA: C10H19N5O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3776 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3777 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3778 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3779 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3780 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3781 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3782 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3783 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3784 COMPOUND_NAME: Secbumeton_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3785 RETENTION_TIME: 3.288845
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3786 PRECURSOR_MZ: 226.1663
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3787 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3788 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3789 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3790 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3791 85.05116 203704.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3792 85.07622 1795800.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3793 86.03511 4360152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3794 96.05572 3992152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3795 97.03974 3296917.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3796 99.06665 489124.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3797 100.05066 11922340.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3798 110.04619 311190.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3799 110.0716 143123.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3800 113.0825 152844.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3801 114.06643 5615716.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3802 125.0461 170765.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3803 127.09787 169642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3804 128.08185 4145137.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3805 129.0112 167032.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3806 138.07761 953215.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3807 142.07253 8482599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3808 153.07755 208846.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3809 168.0881 343548.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3810 170.10394 12923365.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3811 184.11964 137608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3812 226.16615 243943.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3813
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3814 SCANNUMBER: 3100
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3815 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3816 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3817 FORMULA: C18H35NO2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3818 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3819 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3820 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3821 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3822 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3823 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3824 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3825 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3826 COMPOUND_NAME: Spiroxamine_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3827 RETENTION_TIME: 4.508498
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3828 PRECURSOR_MZ: 298.2746
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3829 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3830 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3831 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3832 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3833 100.11219 3396827.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3834 102.09142 137060.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3835 126.12786 85740.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3836 144.13857 3215019.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3837
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3838 SCANNUMBER: 6504
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3839 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3840 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3841 FORMULA: C8H6N2OS2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3842 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3843 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3844 SMILES: CSC(=O)c1cccc2c1snn2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3845 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3846 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3847 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3848 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3849 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3850 COMPOUND_NAME: Acibenzolar-S-methyl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3851 RETENTION_TIME: 7.209623
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3852 PRECURSOR_MZ: 210.9997
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3853 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3854 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3855 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3856 NUM PEAKS: 19
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3857 90.96726 85952.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3858 91.05441 657143.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3859 95.04928 118440.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3860 96.00319 401311.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3861 104.02592 176500.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3862 105.04505 89136.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3863 106.99528 418903.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3864 108.00302 780675.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3865 109.0107 470651.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3866 111.02646 108320.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3867 121.01091 958564.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3868 122.01855 285730.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3869 134.99037 663158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3870 135.99904 120240.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3871 136.00926 5947453.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3872 139.97499 2000969.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3873 152.98305 216362.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3874 167.97003 464522.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3875 210.99977 327401.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3876
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3877 SCANNUMBER: 3267
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3878 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3879 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3880 FORMULA: C13H24N4O3S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3881 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3882 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3883 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3884 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3885 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3886 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3887 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3888 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3889 COMPOUND_NAME: Bupirimate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3890 RETENTION_TIME: 6.076324
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3891 PRECURSOR_MZ: 317.1649
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3892 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3893 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3894 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3895 NUM PEAKS: 55
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3896 86.07153 235598.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3897 93.07003 108137.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3898 95.06072 255743.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3899 95.08585 244503.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3900 96.04461 1438629.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3901 96.08099 127976.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3902 97.03999 368735.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3903 98.06032 1406789.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3904 107.07314 137145.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3905 108.01175 7604676.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3906 109.0761 227922.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3907 110.06014 169356.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3908 110.0716 162792.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3909 110.09671 354193.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3910 120.081 147452.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3911 122.07138 411681.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3912 122.09673 123475.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3913 123.05569 195728.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3914 123.09197 115035.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3915 124.06344 181991.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3916 136.0872 149699.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3917 137.05867 120788.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3918 137.09485 160672.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3919 138.06628 1098460.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3920 138.09154 233604.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3921 138.10286 398553.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3922 139.07446 1057776.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3923 139.12334 148466.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3924 140.10709 5071826.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3925 148.08701 244501.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3926 150.10286 2737236.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3927 151.07442 131788.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3928 151.11079 210989.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3929 151.12326 149447.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3930 152.08211 600122.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3931 164.08234 442472.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3932 165.08989 1444691.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3933 165.10242 2298446.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3934 166.09755 10809536.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3935 167.10577 1006139.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3936 179.12965 335810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3937 180.11362 538952.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3938 180.14995 435438.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3939 182.12912 1149384.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3940 191.11787 124435.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3941 192.14951 246681.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3942 193.13402 1395706.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3943 194.12903 1925937.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3944 208.14435 1874942.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3945 209.17653 127377.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3946 210.15997 6891096.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3947 224.17574 413548.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3948 237.20732 1204267.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3949 262.08615 349666.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3950 272.10626 143082.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3951
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3952 SCANNUMBER: 5627
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3953 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3954 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3955 FORMULA: C16H23N3OS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3956 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3957 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3958 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3959 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3960 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3961 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3962 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3963 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3964 COMPOUND_NAME: Buprofezin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3965 RETENTION_TIME: 7.028851
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3966 PRECURSOR_MZ: 306.1638
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3967 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3968 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3969 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3970 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3971 86.06017 3955916.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3972 95.04928 722739.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3973 102.03746 765607.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3974 102.99629 1020337.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3975 106.06516 49438552.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3976 145.04333 786651.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3977 208.05412 1036458.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3978
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3979 SCANNUMBER: 2650
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3980 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3981 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3982 FORMULA: C12H13NO2S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3983 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3984 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3985 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3986 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3987 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3988 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3989 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3990 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3991 COMPOUND_NAME: Carboxin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3992 RETENTION_TIME: 5.514598
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3993 PRECURSOR_MZ: 236.0745
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3994 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3995 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	3996 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3997 NUM PEAKS: 21
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3998 86.99005 83162.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	3999 89.00569 35962.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4000 92.0498 113299.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4001 93.0575 2928372.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4002 94.06519 52720.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4003 95.04928 67153.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4004 99.02643 59993.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4005 104.04956 151593.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4006 105.04476 45581.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4007 115.02152 31967.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4008 120.04463 57401.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4009 124.02155 960327.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4010 128.04956 63924.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4011 132.04463 580531.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4012 138.03711 35055.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4013 143.01614 2499380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4014 146.06033 163428.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4015 148.02174 69210.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4016 162.03714 126130.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4017 165.02444 140508.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4018 166.03207 97516.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4019
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4020 SCANNUMBER: 4128
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4021 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4022 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4023 FORMULA: C17H26NO3ClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4024 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4025 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4026 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4027 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4028 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4029 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4030 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4031 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4032 COMPOUND_NAME: Clethodim_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4033 RETENTION_TIME: 6.687163
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4034 PRECURSOR_MZ: 360.1401
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4035 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4036 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4037 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4038 NUM PEAKS: 93
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4039 89.0422 26517.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4040 91.05441 49957.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4041 92.04956 6055.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4042 93.0575 11783.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4043 93.07003 33788.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4044 94.06519 21009.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4045 95.04928 65958.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4046 95.0856 11343.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4047 96.04461 77264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4048 98.06032 83926.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4049 103.05439 27407.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4050 105.04505 6981.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4051 105.07019 30263.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4052 106.06516 86354.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4053 107.04936 34964.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4054 107.08563 8621.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4055 108.0446 28107.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4056 108.08108 167346.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4057 109.0651 32723.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4058 110.06014 31720.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4059 110.09671 12453.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4060 111.04435 12775.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4061 111.06791 6651.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4062 114.05498 7671.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4063 114.0916 11353.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4064 115.0543 6778.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4065 117.05739 8001.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4066 117.06997 20495.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4067 118.06519 20951.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4068 119.04944 18911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4069 119.06059 9053.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4070 119.0857 23128.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4071 120.04463 7579.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4072 120.081 8457.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4073 121.06487 56724.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4074 122.06016 65198.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4075 122.09673 13384.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4076 123.04433 7289.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4077 124.03934 5264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4078 124.07605 20748.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4079 127.02138 23658.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4080 128.06201 5671.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4081 129.07021 5839.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4082 131.0731 6698.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4083 131.08559 5362.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4084 132.08089 18560.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4085 133.06488 10377.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4086 133.10155 8105.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4087 134.06033 147188.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4088 134.09659 13221.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4089 135.08049 8346.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4090 136.03949 70010.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4091 136.07568 371565.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4092 136.11234 9112.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4093 137.05997 23108.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4094 138.05496 9422.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4095 138.09154 20890.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4096 144.08099 5145.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4097 145.0649 6292.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4098 146.06033 26112.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4099 146.09634 7672.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4100 147.04402 77322.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4101 147.08089 12959.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4102 148.0759 20412.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4103 149.04733 5916.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4104 149.06003 102646.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4105 150.05499 6525.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4106 150.09151 15556.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4107 150.12804 6161.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4108 152.07053 18217.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4109 158.04488 6800.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4110 160.07613 16467.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4111 160.11201 5212.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4112 161.0601 8950.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4113 161.09631 9597.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4114 162.0554 6952.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4115 162.0914 19731.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4116 163.06274 15231.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4117 164.07106 350022.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4118 164.10716 16374.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4119 166.08664 512799.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4120 166.12283 13211.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4121 167.09418 26398.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4122 173.50754 5344.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4123 178.08673 16500.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4124 178.12309 12987.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4125 180.08443 5978.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4126 180.10194 6844.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4127 190.1227 6425.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4128 192.10233 16067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4129 206.11787 6696.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4130 212.11047 16431.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4131 240.10542 8682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4132
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4133 SCANNUMBER: 7016
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4134 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4135 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4136 FORMULA: C17H26NO3ClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4137 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4138 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4139 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4140 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4141 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4142 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4143 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4144 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4145 COMPOUND_NAME: Clethodim_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4146 RETENTION_TIME: 7.277172
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4147 PRECURSOR_MZ: 360.1401
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4148 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4149 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4150 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4151 NUM PEAKS: 68
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4152 89.0422 98238.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4153 91.05464 171745.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4154 93.05774 38046.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4155 93.07027 136004.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4156 94.06543 101832.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4157 95.04953 227900.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4158 95.08585 40869.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4159 96.04461 221541.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4160 98.06032 529705.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4161 103.05467 131256.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4162 105.07019 127685.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4163 106.06545 53082.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4164 107.04936 136788.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4165 107.08593 34588.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4166 108.0446 65341.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4167 108.08108 867554.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4168 109.0651 107578.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4169 110.06044 125419.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4170 111.04435 54097.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4171 111.06822 33474.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4172 114.0916 70953.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4173 117.07031 92684.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4174 118.06553 57896.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4175 119.04944 77592.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4176 119.0857 101869.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4177 120.081 44118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4178 121.06523 314215.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4179 122.06016 283363.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4180 122.09673 58647.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4181 124.07605 110151.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4182 127.02138 108658.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4183 133.10155 43604.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4184 134.06033 82368.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4185 134.09659 80374.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4186 135.08092 42793.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4187 136.07613 1946515.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4188 136.11234 44348.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4189 137.05997 112159.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4190 138.05539 37327.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4191 138.09154 107538.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4192 146.06033 140672.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4193 146.09682 35123.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4194 147.04449 448482.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4195 147.06795 32058.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4196 147.08089 54066.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4197 148.0759 90038.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4198 149.06003 660024.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4199 150.09151 33706.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4200 152.07103 119001.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4201 161.0601 46725.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4202 161.09631 40686.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4203 162.09196 88271.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4204 163.06331 31458.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4205 164.07106 2144695.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4206 164.10716 97593.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4207 166.08664 3133889.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4208 166.12283 98337.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4209 167.09418 133413.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4210 177.07883 31343.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4211 178.12309 80524.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4212 179.09425 38320.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4213 180.10194 39682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4214 190.1227 42958.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4215 192.10233 115116.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4216 206.11787 45529.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4217 208.13387 37258.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4218 212.11047 103531.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4219 240.10542 87328.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4220
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4221 SCANNUMBER: 1358
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4222 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4223 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4224 FORMULA: C6H8N5O2ClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4225 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4226 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4227 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4228 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4229 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4230 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4231 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4232 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4233 COMPOUND_NAME: Clothianidin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4234 RETENTION_TIME: 2.767634
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4235 PRECURSOR_MZ: 250.0162
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4236 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4237 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4238 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4239 NUM PEAKS: 12
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4240 113.01702 68898.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4241 131.96729 1556136.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4242 146.97801 24619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4243 168.04659 701063.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4244 169.05435 2394222.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4245 172.98125 33776.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4246 174.9729 46060.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4247 203.01552 30320.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4248 204.02304 121736.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4249 206.01546 199604.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4250 220.01871 34828.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4251 250.01668 782407.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4252
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4253 SCANNUMBER: 4651
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4254 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4255 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4256 FORMULA: C13H13N4O2ClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4257 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4258 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4259 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4260 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4261 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4262 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4263 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4264 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4265 COMPOUND_NAME: Cyazofamid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4266 RETENTION_TIME: 6.824718
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4267 PRECURSOR_MZ: 325.0526
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4268 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4269 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4270 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4271 NUM PEAKS: 14
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4272 108.01175 7160721.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4273 216.03249 215458.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4274 217.0407 634975.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4275 218.0482 106134.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4276 225.11369 156877.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4277 226.12143 91884.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4278 233.06017 429313.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4279 251.07034 448093.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4280 251.10664 310661.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4281 261.09036 1553497.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4282 279.10236 522333.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4283 325.052 1817226.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4284 325.14325 121241.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4285 325.23611 85648.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4286
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4287 SCANNUMBER: 2873
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4288 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4289 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4290 FORMULA: C13H9N4OCl2F3S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4291 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4292 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4293 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4294 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4295 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4296 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4297 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4298 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4299 COMPOUND_NAME: Ethiprole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4300 RETENTION_TIME: 5.828761
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4301 PRECURSOR_MZ: 396.991
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4302 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4303 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4304 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4305 NUM PEAKS: 11
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4306 212.94865 522963.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4307 227.9595 466048.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4308 240.95441 720208.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4309 254.9706 13822754.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4310 263.97287 158454.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4311 271.93167 238242.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4312 288.95517 162603.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4313 288.96835 478467.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4314 315.97946 548987.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4315 323.93817 233169.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4316 350.94952 1933706.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4317
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4318 SCANNUMBER: 3176
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4319 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4320 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4321 FORMULA: C13H18O5S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4322 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4323 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4324 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4325 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4326 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4327 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4328 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4329 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4330 COMPOUND_NAME: Ethofumesate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4331 RETENTION_TIME: 6.01901
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4332 PRECURSOR_MZ: 287.0957
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4333 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4334 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4335 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4336 NUM PEAKS: 10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4337 121.06523 2086509.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4338 149.09618 158152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4339 161.0601 278315.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4340 162.0676 51729.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4341 163.07561 321436.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4342 179.07047 102226.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4343 241.05281 803837.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4344 259.06424 3450423.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4345 277.07498 105295.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4346 287.09497 1000737.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4347
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4348 SCANNUMBER: 4022
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4349 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4350 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4351 FORMULA: C17H17N3OS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4352 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4353 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4354 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4355 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4356 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4357 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4358 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4359 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4360 COMPOUND_NAME: Fenamidone
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4361 RETENTION_TIME: 6.626915
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4362 PRECURSOR_MZ: 312.1172
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4363 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4364 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4365 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4366 NUM PEAKS: 23
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4367 92.0498 32114948.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4368 103.05439 9639649.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4369 104.04984 654872.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4370 118.05279 339058.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4371 120.081 4707760.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4372 124.07605 564026.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4373 133.06364 333596.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4374 133.07642 2035568.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4375 134.07159 10042268.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4376 150.02492 4123380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4377 158.07153 1565433.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4378 161.07108 557286.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4379 165.04834 2679578.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4380 170.09679 350930.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4381 194.09637 1767185.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4382 195.09152 465030.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4383 206.08372 504328.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4384 207.06779 429040.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4385 211.12321 535099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4386 219.09235 850480.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4387 221.0947 1138537.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4388 236.11884 5452674.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4389 237.04855 688489.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4390
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4391 SCANNUMBER: 3428
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4392 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4393 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4394 FORMULA: C12H4N4OCl2F6S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4395 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4396 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4397 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4398 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4399 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4400 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4401 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4402 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4403 COMPOUND_NAME: Fipronil
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4404 RETENTION_TIME: 6.367518
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4405 PRECURSOR_MZ: 436.9474
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4406 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4407 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4408 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4409 NUM PEAKS: 44
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4410 85.96982 4313.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4411 113.00444 3712.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4412 113.98832 5133.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4413 139.99144 7362.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4414 212.94781 4882.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4415 221.00912 225249.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4416 227.95949 26131.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4417 228.96689 57334.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4418 229.97443 5477.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4419 238.95135 20431.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4420 239.95872 31698.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4421 240.95441 5173.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4422 246.00426 38514.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4423 246.98785 4361.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4424 249.00337 20177.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4425 252.98164 49955.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4426 253.96179 34002.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4427 254.96948 369569.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4428 255.97771 5120.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4429 256.92007 8581.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4430 257.96988 6310.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4431 258.00436 15884.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4432 262.96518 141114.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4433 263.94986 4319.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4434 264.95398 10810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4435 265.00839 13074.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4436 266.97012 5374.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4437 270.00439 13928.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4438 270.92358 71148.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4439 277.9621 52537.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4440 280.97632 110429.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4441 281.98138 13157.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4442 284.00772 9139.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4443 285.01489 32296.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4444 287.96118 3855.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4445 289.97687 181252.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4446 305.97165 38958.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4447 314.97189 30271.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4448 315.97946 17897.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4449 319.98468 18911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4450 332.98279 23894.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4451 341.94772 7327.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4452 350.94775 6206.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4453 367.95102 6446.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4454
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4455 SCANNUMBER: 3663
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4456 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4457 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4458 FORMULA: C14H13N3O2F4S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4459 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4460 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4461 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4462 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4463 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4464 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4465 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4466 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4467 COMPOUND_NAME: Flufenacet
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4468 RETENTION_TIME: 6.476889
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4469 PRECURSOR_MZ: 364.0744
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4470 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4471 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4472 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4473 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4474 124.05603 201655.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4475 152.0509 5487354.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4476 152.08713 528888.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4477 194.09782 19271964.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4478 364.07422 2107439.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4479
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4480 SCANNUMBER: 7986
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4481 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4482 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4483 FORMULA: C17H21N2O2ClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4484 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4485 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4486 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4487 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4488 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4489 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4490 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4491 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4492 COMPOUND_NAME: Hexythiazox
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4493 RETENTION_TIME: 7.46046
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4494 PRECURSOR_MZ: 353.1096
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4495 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4496 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4497 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4498 NUM PEAKS: 18
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4499 115.0543 1419536.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4500 116.06212 1728574.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4501 117.05739 141175.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4502 125.01533 77703.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4503 132.08089 464129.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4504 133.06488 142255.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4505 133.08878 1059309.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4506 140.04968 116606.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4507 141.05769 118308.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4508 143.06068 285902.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4509 151.03107 3098662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4510 153.03435 252766.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4511 159.06828 444319.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4512 168.05769 6763262.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4513 176.02615 779438.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4514 194.03688 1165217.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4515 210.01369 101590.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4516 228.02509 203533.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4517
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4518 SCANNUMBER: 6090
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4519 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4520 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4521 FORMULA: C16H14N2O2S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4522 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4523 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4524 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4525 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4526 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4527 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4528 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4529 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4530 COMPOUND_NAME: Mefenacet
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4531 RETENTION_TIME: 7.143147
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4532 PRECURSOR_MZ: 299.0857
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4533 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4534 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4535 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4536 NUM PEAKS: 10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4537 91.05441 4904942.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4538 93.07003 396728.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4539 95.04928 309109.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4540 103.05439 240325.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4541 105.05748 315163.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4542 118.06553 748880.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4543 120.081 20302168.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4544 136.02161 2145909.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4545 148.0759 2833957.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4546 152.01669 272045.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4547
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4548 SCANNUMBER: 1880
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4549 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4550 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4551 FORMULA: C14H13NO7S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4552 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4553 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4554 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4555 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4556 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4557 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4558 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4559 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4560 COMPOUND_NAME: Mesotrione
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4561 RETENTION_TIME: 4.438974
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4562 PRECURSOR_MZ: 340.0492
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4563 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4564 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4565 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4566 NUM PEAKS: 21
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4567 92.0498 20384.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4568 94.02896 22521.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4569 95.01298 42541.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4570 104.01339 1414098.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4571 107.0131 68271.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4572 108.02079 22960.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4573 111.04435 27776.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4574 119.01284 29585.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4575 122.02398 38301.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4576 136.03949 15704.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4577 154.97983 175640.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4578 166.0137 179306.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4579 170.00336 47194.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4580 182.0032 34021.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4581 214.06305 78325.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4582 216.00862 81842.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4583 227.99644 875193.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4584 260.02258 25724.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4585 275.03772 37760.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4586 293.04776 19676.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4587 294.05606 18376.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4588
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4589 SCANNUMBER: 2365
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4590 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4591 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4592 FORMULA: C11H21N5OS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4593 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4594 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4595 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4596 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4597 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4598 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4599 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4600 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4601 COMPOUND_NAME: Methoprotryne
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4602 RETENTION_TIME: 4.953537
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4603 PRECURSOR_MZ: 272.1545
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4604 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4605 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4606 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4607 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4608 91.03273 1224280.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4609 103.03277 469421.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4610 108.05575 1098439.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4611 116.0279 2387399.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4612 125.0825 7238442.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4613 150.07768 1073510.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4614 152.09319 544524.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4615 156.03424 386143.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4616 156.05936 523005.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4617 158.04967 579874.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4618 170.04977 30639952.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4619 198.08067 12326767.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4620 212.09639 2176296.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4621 230.10741 452827.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4622 240.1284 1276547.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4623
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4624 SCANNUMBER: 1932
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4625 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4626 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4627 FORMULA: C8H14N4OS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4628 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4629 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4630 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4631 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4632 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4633 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4634 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4635 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4636 COMPOUND_NAME: Metribuzin
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4637 RETENTION_TIME: 4.458099
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4638 PRECURSOR_MZ: 215.0965
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4639 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4640 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4641 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4642 NUM PEAKS: 62
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4643 85.08886 22454.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4644 87.00137 169483.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4645 88.00926 84542.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4646 89.01718 426359.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4647 95.06072 92527.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4648 96.04461 50118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4649 97.06514 96987.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4650 98.05901 20223.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4651 99.09205 39234.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4652 104.02791 100681.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4653 108.06841 101836.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4654 109.07641 56085.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4655 110.06014 53533.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4656 110.08431 26239.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4657 114.03733 55997.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4658 114.99636 118244.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4659 115.0202 36933.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4660 116.01549 91102.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4661 117.01186 22228.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4662 123.05569 75674.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4663 123.07951 19671.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4664 124.06344 40346.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4665 124.08718 18832.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4666 125.07124 54613.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4667 125.0825 115086.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4668 126.10277 28501.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4669 129.03598 19818.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4670 130.03105 252134.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4671 131.0276 22354.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4672 131.03888 1631897.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4673 139.03265 27241.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4674 139.09824 52072.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4675 140.04034 101100.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4676 141.03566 33429.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4677 141.04825 19469.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4678 143.06389 91872.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4679 144.03552 36694.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4680 145.05458 227341.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4681 147.91982 56049.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4682 147.93188 52360.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4683 147.93575 42677.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4684 147.94106 55028.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4685 153.07755 94895.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4686 154.04378 27710.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4687 155.05132 25496.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4688 155.06427 49916.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4689 156.05936 708006.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4690 157.04344 120558.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4691 157.05453 30768.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4692 168.02261 18988.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4693 170.07477 29338.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4694 171.05882 968992.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4695 171.07022 30976.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4696 171.08282 34546.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4697 172.07808 172693.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4698 173.50877 74710.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4699 182.03879 33707.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4700 183.04619 29308.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4701 184.05394 333698.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4702 186.08231 47791.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4703 187.10153 1851092.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4704 215.09644 112225.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4705
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4706 SCANNUMBER: 2407
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4707 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4708 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4709 FORMULA: C10H19N5S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4710 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4711 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4712 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4713 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4714 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4715 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4716 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4717 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4718 COMPOUND_NAME: Prometryne
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4719 RETENTION_TIME: 4.990861
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4720 PRECURSOR_MZ: 242.1439
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4721 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4722 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4723 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4724 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4725 85.05116 4457818.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4726 91.03273 8009682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4727 96.05572 6069758.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4728 102.03746 367626.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4729 110.04619 4165152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4730 110.0716 444450.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4731 113.0825 1093208.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4732 116.0279 11189147.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4733 138.07761 4951850.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4734 144.05917 3781341.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4735 158.04646 408855.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4736 158.04967 34215304.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4737 173.50693 425480.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4738 186.08095 16656961.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4739 200.09659 2036050.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4740
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4741 SCANNUMBER: 8415
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4742 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4743 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4744 FORMULA: C19H25N2OClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4745 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4746 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4747 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4748 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4749 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4750 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4751 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4752 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4753 COMPOUND_NAME: Pyridaben
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4754 RETENTION_TIME: 7.556859
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4755 PRECURSOR_MZ: 365.1459
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4756 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4757 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4758 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4759 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4760 147.11726 1746679.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4761 309.0834 39061400.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4762 365.14478 6893662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4763
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4764 SCANNUMBER: 1608
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4765 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4766 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4767 FORMULA: C8H15N5S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4768 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4769 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4770 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4771 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4772 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4773 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4774 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4775 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4776 COMPOUND_NAME: Simetryn
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4777 RETENTION_TIME: 3.75983
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4778 PRECURSOR_MZ: 214.1124
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4779 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4780 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4781 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4782 NUM PEAKS: 12
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4783 91.03273 299056.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4784 96.05597 10435853.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4785 102.03746 159989.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4786 113.0825 349517.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4787 116.0279 6039216.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4788 124.08718 4340512.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4789 138.07761 424357.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4790 144.05917 2698291.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4791 158.04967 123923.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4792 166.10905 576911.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4793 186.08095 411980.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4794 214.11266 506708.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4795
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4796 SCANNUMBER: 2110
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4797 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4798 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4799 FORMULA: C11H10N4O3Cl2F2S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4800 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4801 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4802 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4803 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4804 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4805 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4806 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4807 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4808 COMPOUND_NAME: Sulfentrazone
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4809 RETENTION_TIME: 4.825635
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4810 PRECURSOR_MZ: 386.99
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4811 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4812 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4813 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4814 NUM PEAKS: 48
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4815 92.03084 36986.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4816 109.9793 24541.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4817 111.99506 13105.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4818 127.99009 18850.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4819 136.99023 73690.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4820 139.00583 127950.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4821 145.95616 142592.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4822 146.00066 61013.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4823 146.96414 17631.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4824 149.04001 58665.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4825 155.00107 516575.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4826 157.95639 179021.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4827 163.96677 638082.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4828 172.96719 294246.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4829 173.50693 15383.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4830 173.95125 25670.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4831 173.97466 222766.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4832 175.96661 26415.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4833 178.01723 464585.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4834 180.03255 13838.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4835 182.01176 108423.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4836 186.98276 774653.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4837 190.97755 43534.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4838 198.94617 336099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4839 200.96233 30494.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4840 212.00275 22753.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4841 213.9933 128858.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4842 218.9523 26640.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4843 221.02235 12118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4844 222.03113 12834.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4845 223.03876 132014.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4846 226.96516 14865.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4847 232.00861 308335.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4848 245.96388 122236.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4849 246.97118 31675.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4850 256.99966 41655.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4851 258.00772 138182.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4852 271.01935 68960.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4853 272.02798 110904.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4854 273.035 1123625.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4855 274.04276 16257.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4856 279.98544 298347.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4857 286.99054 64325.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4858 287.99789 19349.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4859 289.03033 15241.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4860 306.99692 72556.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4861 308.00412 68794.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4862 336.99271 19232.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4863
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4864 SCANNUMBER: 2407
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4865 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4866 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4867 FORMULA: C10H19N5S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4868 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4869 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4870 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4871 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4872 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4873 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4874 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4875 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4876 COMPOUND_NAME: Terbutryn
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4877 RETENTION_TIME: 4.990861
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4878 PRECURSOR_MZ: 242.1439
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4879 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4880 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4881 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4882 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4883 85.05116 4457818.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4884 91.03273 8009682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4885 96.05572 6069758.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4886 102.03746 367626.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4887 110.04619 4165152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4888 110.0716 444450.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4889 113.0825 1093208.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4890 116.0279 11189147.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4891 138.07761 4951850.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4892 144.05917 3781341.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4893 158.04646 408855.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4894 158.04967 34215304.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4895 173.50693 425480.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4896 186.08095 16656961.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4897 200.09659 2036050.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4898
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4899 SCANNUMBER: 1232
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4900 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4901 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4902 FORMULA: C10H7N3S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4903 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4904 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4905 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4906 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4907 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4908 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4909 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4910 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4911 COMPOUND_NAME: Thiabendazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4912 RETENTION_TIME: 2.44406
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4913 PRECURSOR_MZ: 202.0437
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4914 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4915 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4916 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4917 NUM PEAKS: 7
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4918 92.0498 482307.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4919 131.06062 3699935.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4920 143.06068 408061.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4921 158.07153 301732.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4922 170.07179 139529.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4923 175.03255 9873992.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4924 202.04396 3731232.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4925
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4926 SCANNUMBER: 1685
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4927 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4928 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4929 FORMULA: C10H9N4ClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4930 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4931 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4932 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4933 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4934 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4935 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4936 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4937 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4938 COMPOUND_NAME: Thiacloprid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4939 RETENTION_TIME: 4.159843
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4940 PRECURSOR_MZ: 253.0315
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4941 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4942 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4943 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4944 NUM PEAKS: 6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4945 90.03403 1177314.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4946 91.04182 256154.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4947 98.99973 1052050.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4948 108.0446 146293.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4949 126.01085 11655971.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4950 144.02113 633179.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4951
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4952 SCANNUMBER: 1108
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4953 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4954 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4955 FORMULA: C8H10N5O3ClS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4956 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4957 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4958 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4959 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4960 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4961 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4962 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4963 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4964 COMPOUND_NAME: Thiamethoxam
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4965 RETENTION_TIME: 2.35524
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4966 PRECURSOR_MZ: 292.0273
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4967 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4968 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4969 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4970 NUM PEAKS: 10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4971 131.96729 856494.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4972 174.9729 61417.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4973 180.04681 65222.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4974 181.0547 129376.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4975 210.05699 499700.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4976 211.06477 3262623.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4977 245.02655 33196.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4978 246.0343 359117.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4979 248.02554 112237.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4980 292.02722 584625.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4981
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4982 SCANNUMBER: 2638
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4983 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4984 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4985 FORMULA: C9H7N3S
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4986 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4987 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4988 SMILES: Cc1cccc2c1n1cnnc1s2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4989 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4990 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4991 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4992 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4993 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4994 COMPOUND_NAME: Tricyclazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4995 RETENTION_TIME: 5.514598
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	4996 PRECURSOR_MZ: 190.0439
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4997 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4998 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	4999 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5000 NUM PEAKS: 10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5001 92.0498 1103195.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5002 109.01101 3220386.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5003 119.06059 619856.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5004 127.02138 192273.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5005 129.04501 178061.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5006 130.04021 316945.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5007 136.02161 16492967.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5008 137.01691 212259.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5009 163.03258 14491751.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5010 190.04391 4390148.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5011
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5012 SCANNUMBER: 2801
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5013 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5014 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5015 FORMULA: C17H12N2OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5016 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5017 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5018 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5019 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5020 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5021 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5022 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5023 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5024 COMPOUND_NAME: Fenarimol
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5025 RETENTION_TIME: 6.876775
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5026 PRECURSOR_MZ: 331.0412
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5027 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5028 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5029 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5030 NUM PEAKS: 60
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5031 129.01041 62692.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5032 138.99483 4713270.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5033 139.00581 348352.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5034 140.02657 87193.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5035 149.01559 101793.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5036 156.06877 160067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5037 157.07619 145321.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5038 160.97346 447898.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5039 161.97681 363570.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5040 164.0265 120667.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5041 165.07053 109460.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5042 178.07843 118150.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5043 183.0555 74353.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5044 184.06332 56066.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5045 185.07138 63091.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5046 189.07033 2498508.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5047 192.02161 92048.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5048 192.04518 47251.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5049 199.0313 150848.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5050 200.03886 96007.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5051 203.07297 92058.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5052 204.08092 678200.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5053 205.06487 253030.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5054 205.08929 197254.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5055 206.07339 64967.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5056 212.03918 81877.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5057 216.08105 187436.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5058 217.06558 157687.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5059 219.0323 135275.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5060 220.0406 48463.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5061 223.03162 1274143.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5062 224.03886 340107.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5063 225.04663 54849.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5064 231.0923 53552.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5065 232.07594 380360.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5066 232.09967 52199.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5067 232.99239 244669.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5068 233.08405 997290.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5069 235.00783 124586.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5070 238.04195 729158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5071 240.05751 690775.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5072 241.04176 517674.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5073 241.06586 115853.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5074 242.08463 143951.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5075 243.09258 198185.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5076 250.04214 378960.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5077 251.0031 434485.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5078 251.02657 76166.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5079 251.05006 585923.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5080 252.03401 1565574.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5081 259.00827 2379846.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5082 259.08661 47950.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5083 266.03717 318342.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5084 267.04504 216878.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5085 267.06848 215642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5086 268.05276 3869425.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5087 276.03445 91579.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5088 277.0527 143152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5089 278.06161 515869.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5090 279.06857 114232.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5091
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5092 SCANNUMBER: 3202
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5093 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5094 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5095 FORMULA: C19H17N4Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5096 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5097 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5098 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5099 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5100 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5101 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5102 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5103 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5104 COMPOUND_NAME: Fenbuconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5105 RETENTION_TIME: 7.045859
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5106 PRECURSOR_MZ: 337.1223
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5107 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5108 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5109 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5110 NUM PEAKS: 9
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5111 89.03882 491858.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5112 91.05441 1708709.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5113 103.05439 763259.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5114 125.01532 31583906.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5115 128.062 614101.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5116 129.07021 1018109.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5117 139.0309 716816.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5118 155.06064 335216.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5119 163.0309 736285.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5120
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5121 SCANNUMBER: 3422
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5122 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5123 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5124 FORMULA: C16H8N5OCl2F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5125 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5126 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5127 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5128 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5129 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5130 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5131 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5132 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5133 COMPOUND_NAME: Fluquinconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5134 RETENTION_TIME: 7.093534
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5135 PRECURSOR_MZ: 376.0173
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5136 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5137 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5138 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5139 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5140 108.02471 848273.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5141 123.99523 983397.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5142 126.03514 85852.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5143 158.97679 294325.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5144 163.03033 1264696.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5145 181.04097 120423.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5146 195.05714 105799.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5147 243.01224 134077.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5148 244.01985 783328.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5149 251.97818 94741.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5150 272.01474 3792436.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5151 278.98978 1325774.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5152 279.97287 100928.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5153 287.02576 171499.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5154 306.98392 7738432.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5155 313.02911 148350.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5156 314.03632 96754.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5157 324.99539 291864.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5158 331.97888 91552.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5159 339.01056 449848.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5160 349.00613 731296.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5161 349.98984 271485.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5162
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5163 SCANNUMBER: 1408
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5164 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5165 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5166 FORMULA: C16H13N3OF2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5167 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5168 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5169 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5170 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5171 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5172 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5173 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5174 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5175 COMPOUND_NAME: Flutriafol
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5176 RETENTION_TIME: 5.240544
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5177 PRECURSOR_MZ: 302.1111
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5178 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5179 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5180 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5181 NUM PEAKS: 11
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5182 109.04492 5549990.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5183 113.03991 603136.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5184 123.02199 197823.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5185 123.02419 14667272.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5186 123.03517 2231147.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5187 137.03973 187845.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5188 165.06996 216662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5189 194.05283 196543.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5190 195.06081 577107.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5191 214.05884 311976.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5192 215.0668 353163.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5193
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5194 SCANNUMBER: 1202
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5195 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5196 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5197 FORMULA: C11H8N2O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5198 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5199 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5200 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5201 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5202 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5203 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5204 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5205 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5206 COMPOUND_NAME: Fuberidazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5207 RETENTION_TIME: 2.456748
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5208 PRECURSOR_MZ: 185.0715
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5209 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5210 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5211 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5212 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5213 92.0498 2714348.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5214 103.05439 924742.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5215 118.05279 1356359.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5216 119.06059 1561269.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5217 128.04956 416024.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5218 129.04501 934098.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5219 129.05762 1711080.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5220 130.06528 5627980.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5221 131.06062 2006719.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5222 142.05298 1703655.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5223 143.06068 769483.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5224 155.06064 2222038.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5225 156.06877 35950644.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5226 157.07619 39653584.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5227 185.0714 6790632.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5228
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5229 SCANNUMBER: 1619
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5230 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5231 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5232 FORMULA: C15H18N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5233 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5234 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5235 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5236 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5237 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5238 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5239 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5240 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5241 COMPOUND_NAME: Cyproconazole_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5242 RETENTION_TIME: 6.138374
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5243 PRECURSOR_MZ: 292.122
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5244 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5245 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5246 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5247 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5248 89.03882 111896.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5249 125.01532 6537308.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5250 138.99483 329090.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5251 139.00581 166501.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5252
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5253 SCANNUMBER: 1786
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5254 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5255 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5256 FORMULA: C15H18N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5257 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5258 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5259 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5260 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5261 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5262 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5263 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5264 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5265 COMPOUND_NAME: Cyproconazole_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5266 RETENTION_TIME: 6.36811
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5267 PRECURSOR_MZ: 292.1225
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5268 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5269 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5270 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5271 NUM PEAKS: 4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5272 89.03882 144933.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5273 125.01532 8553550.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5274 138.99483 403028.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5275 139.00581 198856.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5276
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5277 SCANNUMBER: 2657
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5278 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5279 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5280 FORMULA: C15H19N3OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5281 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5282 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5283 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5284 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5285 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5286 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5287 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5288 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5289 COMPOUND_NAME: Diclobutrazol
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5290 RETENTION_TIME: 6.830443
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5291 PRECURSOR_MZ: 328.0983
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5292 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5293 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5294 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5295 NUM PEAKS: 11
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5296 122.99965 485826.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5297 125.01532 529574.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5298 137.01562 496542.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5299 158.97626 45675696.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5300 164.03891 599051.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5301 172.9556 1689517.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5302 172.99223 1044544.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5303 174.97104 486149.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5304 186.97108 498843.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5305 190.96622 746907.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5306 199.00793 579087.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5307
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5308 SCANNUMBER: 4342
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5309 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5310 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5311 FORMULA: C19H17N3O3Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5312 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5313 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5314 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5315 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5316 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5317 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5318 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5319 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5320 COMPOUND_NAME: Difenoconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5321 RETENTION_TIME: 7.351549
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5322 PRECURSOR_MZ: 406.0727
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5323 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5324 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5325 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5326 NUM PEAKS: 13
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5327 129.07021 341601.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5328 139.00626 338485.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5329 141.01048 334473.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5330 152.06247 924840.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5331 153.07042 500230.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5332 181.06517 598188.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5333 187.03149 1315167.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5334 188.03915 3752594.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5335 215.02702 454036.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5336 216.03418 363614.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5337 223.00838 2665156.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5338 251.0031 32513990.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5339 264.98291 3756956.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5340
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5341 SCANNUMBER: 3119
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5342 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5343 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5344 FORMULA: C15H17N3OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5345 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5346 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5347 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5348 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5349 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5350 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5351 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5352 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5353 COMPOUND_NAME: Diniconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5354 RETENTION_TIME: 6.999194
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5355 PRECURSOR_MZ: 326.0832
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5356 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5357 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5358 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5359 NUM PEAKS: 52
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5360 87.0807 115189.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5361 110.0716 52760.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5362 123.00002 65949.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5363 136.00755 116731.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5364 137.01562 125799.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5365 141.07028 87788.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5366 143.08594 53581.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5367 145.0649 52799.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5368 148.08749 54447.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5369 150.02344 61653.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5370 153.07042 57255.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5371 154.07816 75541.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5372 158.97679 4013011.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5373 162.0233 223821.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5374 164.03891 43958.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5375 165.01022 141964.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5376 166.0183 79777.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5377 169.10155 324107.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5378 170.97658 348553.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5379 172.95621 929271.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5380 172.96719 160833.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5381 172.99223 196389.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5382 175.0313 83110.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5383 176.03931 389366.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5384 179.02609 125863.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5385 180.03384 98155.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5386 182.07175 55824.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5387 182.97643 126111.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5388 184.99236 46623.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5389 185.98766 43685.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5390 189.0215 81465.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5391 189.04662 463062.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5392 190.02985 105876.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5393 191.02502 124599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5394 193.04185 237565.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5395 196.99208 133380.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5396 203.03725 47288.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5397 203.06287 40626.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5398 204.07076 337511.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5399 205.01678 42726.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5400 207.0574 131489.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5401 209.9998 62865.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5402 216.03247 187324.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5403 217.0407 287524.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5404 224.01547 69804.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5405 230.04839 54464.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5406 234.04297 67828.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5407 240.0096 86885.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5408 252.00932 126391.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5409 264.0097 43206.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5410 270.01987 48934.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5411 278.02554 102202.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5412
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5413 SCANNUMBER: 3124
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5414 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5415 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5416 FORMULA: C17H13N3OClF
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5417 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5418 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5419 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5420 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5421 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5422 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5423 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5424 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5425 COMPOUND_NAME: Epoxiconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5426 RETENTION_TIME: 6.999194
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5427 PRECURSOR_MZ: 330.0806
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5428 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5429 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5430 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5431 NUM PEAKS: 12
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5432 91.05464 783917.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5433 101.03878 454726.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5434 113.01572 623551.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5435 113.04023 604178.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5436 119.04978 1591248.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5437 121.04307 362239.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5438 121.04521 27069946.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5439 123.02455 5942544.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5440 123.03517 2030362.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5441 129.04501 7068444.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5442 138.99483 468356.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5443 141.01048 1219612.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5444
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5445 SCANNUMBER: 2581
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5446 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5447 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5448 FORMULA: C14H15N3O2Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5449 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5450 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5451 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5452 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5453 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5454 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5455 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5456 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5457 COMPOUND_NAME: Etaconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5458 RETENTION_TIME: 6.802904
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5459 PRECURSOR_MZ: 328.0626
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5460 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5461 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5462 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5463 NUM PEAKS: 10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5464 122.99965 480348.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5465 125.01532 599928.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5466 137.01562 455760.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5467 158.97626 39434140.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5468 164.03891 610435.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5469 172.9556 1469728.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5470 172.99223 970218.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5471 174.97166 597883.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5472 190.96622 527039.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5473 199.00793 567443.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5474
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5475 SCANNUMBER: 1043
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5476 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5477 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5478 FORMULA: C11H19N3O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5479 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5480 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5481 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5482 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5483 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5484 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5485 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5486 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5487 COMPOUND_NAME: Ethirimol
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5488 RETENTION_TIME: 2.246086
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5489 PRECURSOR_MZ: 210.1608
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5490 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5491 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5492 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5493 NUM PEAKS: 32
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5494 93.07027 325229.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5495 95.06072 869968.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5496 95.08585 891568.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5497 96.0446 781962.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5498 97.03999 1008744.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5499 98.06031 16588468.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5500 105.07019 215544.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5501 107.07314 1858556.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5502 109.0761 345145.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5503 110.06044 242964.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5504 110.0716 341679.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5505 110.09671 170712.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5506 111.07922 353713.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5507 112.11221 261603.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5508 114.06642 269861.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5509 120.081 391118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5510 122.07138 761007.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5511 122.08405 230087.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5512 122.09672 693029.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5513 123.05569 456004.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5514 124.06344 347297.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5515 138.06627 3057256.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5516 139.07446 2046408.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5517 140.10709 14705233.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5518 150.10286 1256237.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5519 152.08211 570565.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5520 165.10242 2897067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5521 166.09755 407251.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5522 167.10577 1091732.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5523 182.12912 2661313.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5524 193.13402 1554662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5525 210.15997 2414378.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5526
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5527 SCANNUMBER: 2543
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5528 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5529 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5530 FORMULA: C14H17N3OCl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5531 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5532 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5533 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5534 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5535 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5536 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5537 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5538 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5539 COMPOUND_NAME: Hexaconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5540 RETENTION_TIME: 6.793731
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5541 PRECURSOR_MZ: 314.0833
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5542 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5543 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5544 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5545 NUM PEAKS: 16
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5546 115.05463 149487.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5547 123.00002 104704.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5548 125.0157 1580755.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5549 129.01041 156034.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5550 136.00755 162737.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5551 139.00626 458884.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5552 146.97656 554008.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5553 149.01559 424582.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5554 150.02344 1003022.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5555 153.01047 351412.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5556 158.97679 7629371.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5557 170.97658 545468.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5558 172.99223 112377.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5559 174.97166 740773.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5560 184.99236 690533.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5561 188.98734 151249.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5562
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5563 SCANNUMBER: 3476
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5564 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5565 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5566 FORMULA: C18H24N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5567 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5568 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5569 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5570 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5571 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5572 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5573 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5574 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5575 COMPOUND_NAME: Ipconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5576 RETENTION_TIME: 7.112235
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5577 PRECURSOR_MZ: 334.1694
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5578 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5579 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5580 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5581 NUM PEAKS: 18
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5582 89.03882 79221.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5583 95.08585 152078.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5584 109.10148 351087.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5585 115.05463 110112.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5586 116.06245 125067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5587 125.01532 7756546.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5588 128.06239 168573.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5589 130.078 83461.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5590 139.03134 219182.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5591 142.07797 176298.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5592 149.01559 120448.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5593 151.03107 544953.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5594 155.06064 99629.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5595 156.09335 164234.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5596 163.0309 672001.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5597 165.04663 173374.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5598 177.04655 269267.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5599 191.06258 291856.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5600
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5601 SCANNUMBER: 3161
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5602 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5603 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5604 FORMULA: C17H22N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5605 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5606 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5607 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5608 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5609 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5610 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5611 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5612 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5613 COMPOUND_NAME: Metconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5614 RETENTION_TIME: 7.017605
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5615 PRECURSOR_MZ: 320.1538
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5616 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5617 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5618 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5619 NUM PEAKS: 13
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5620 95.08585 468079.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5621 107.08563 155599.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5622 125.01532 7873925.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5623 128.06239 109318.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5624 139.0309 414801.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5625 141.07028 83342.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5626 142.07797 413140.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5627 151.03107 437268.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5628 156.09335 90865.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5629 163.0309 398692.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5630 165.04663 82686.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5631 177.04655 645875.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5632 191.06258 194319.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5633
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5634 SCANNUMBER: 1883
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5635 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5636 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5637 FORMULA: C17H12N2OClF
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5638 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5639 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5640 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5641 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5642 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5643 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5644 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5645 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5646 COMPOUND_NAME: Nuarimol
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5647 RETENTION_TIME: 6.452959
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5648 PRECURSOR_MZ: 315.0705
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5649 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5650 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5651 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5652 NUM PEAKS: 59
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5653 113.03991 15277.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5654 123.02419 689099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5655 123.03554 68936.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5656 128.04956 14564.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5657 129.01041 14843.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5658 133.0451 22041.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5659 138.99483 1332636.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5660 139.00581 94456.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5661 140.02657 19300.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5662 146.06032 14189.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5663 148.05606 39683.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5664 149.01559 14981.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5665 155.06064 19858.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5666 156.06824 55221.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5667 157.07619 36997.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5668 164.0265 18608.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5669 175.06673 21221.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5670 176.05058 19072.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5671 177.06996 49682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5672 183.0555 30209.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5673 183.06081 88118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5674 184.06332 19768.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5675 184.06868 59202.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5676 196.06854 97299.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5677 197.07671 61139.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5678 203.0621 35166.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5679 204.06998 19803.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5680 204.08092 49291.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5681 205.06487 29754.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5682 207.06059 882384.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5683 208.0686 634275.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5684 209.07669 25592.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5685 217.0218 165488.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5686 219.03754 41019.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5687 222.07198 384808.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5688 223.03162 30017.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5689 223.0799 43854.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5690 224.08748 416242.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5691 225.07111 247098.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5692 225.09467 22048.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5693 231.03761 14704.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5694 232.07594 99246.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5695 234.07179 197210.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5696 235.032 192527.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5697 235.05521 28642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5698 235.07939 264307.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5699 236.06332 486776.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5700 242.08463 14147.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5701 243.03766 1030291.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5702 250.06654 105369.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5703 251.07462 143926.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5704 251.0981 73184.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5705 252.08234 1413294.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5706 260.06421 35847.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5707 261.08243 111553.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5708 262.0907 121243.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5709 263.09796 32958.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5710 269.04013 16405.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5711 270.04846 16960.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5712
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5713 SCANNUMBER: 1764
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5714 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5715 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5716 FORMULA: C15H20N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5717 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5718 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5719 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5720 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5721 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5722 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5723 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5724 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5725 COMPOUND_NAME: Paclobutrazol
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5726 RETENTION_TIME: 6.358851
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5727 PRECURSOR_MZ: 294.1362
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5728 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5729 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5730 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5731 NUM PEAKS: 22
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5732 87.0807 394679.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5733 89.03882 144548.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5734 91.05441 100589.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5735 95.04928 72012.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5736 102.04659 60868.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5737 103.05439 512214.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5738 113.0154 191248.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5739 115.0543 61507.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5740 116.06211 61856.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5741 125.01532 6037114.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5742 126.01882 85997.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5743 127.01254 4019573.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5744 129.07021 226797.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5745 130.078 602958.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5746 137.01562 331896.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5747 139.0309 780894.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5748 140.99162 137268.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5749 141.00285 65567.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5750 141.01048 108664.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5751 151.03107 202825.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5752 165.04663 986782.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5753 173.50876 86407.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5754
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5755 SCANNUMBER: 2459
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5756 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5757 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5758 FORMULA: C13H15N3Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5759 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5760 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5761 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5762 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5763 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5764 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5765 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5766 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5767 COMPOUND_NAME: Penconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5768 RETENTION_TIME: 6.747501
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5769 PRECURSOR_MZ: 284.0724
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5770 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5771 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5772 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5773 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5774 102.04659 746383.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5775 122.99965 1405085.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5776 137.01562 2859486.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5777 158.97626 62049868.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5778 172.99223 3885430.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5779
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5780 SCANNUMBER: 3131
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5781 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5782 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5783 FORMULA: C15H17N3O2Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5784 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5785 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5786 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5787 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5788 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5789 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5790 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5791 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5792 COMPOUND_NAME: Propiconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5793 RETENTION_TIME: 6.999194
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5794 PRECURSOR_MZ: 342.0777
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5795 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5796 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5797 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5798 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5799 122.99965 303053.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5800 158.97626 24240670.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5801 172.9556 1323126.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5802 186.97108 391981.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5803 190.96622 431621.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5804
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5805 SCANNUMBER: 2993
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5806 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5807 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5808 FORMULA: C16H22N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5809 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5810 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5811 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5812 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5813 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5814 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5815 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5816 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5817 COMPOUND_NAME: Tebuconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5818 RETENTION_TIME: 6.933391
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5819 PRECURSOR_MZ: 308.1532
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5820 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5821 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5822 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5823 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5824 89.03882 78455.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5825 103.05439 150981.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5826 115.0543 806550.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5827 116.06211 1104744.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5828 125.01532 7312966.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5829 129.07021 192428.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5830 130.078 394675.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5831 133.06488 89665.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5832 137.01562 81241.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5833 139.0309 552019.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5834 143.06068 143813.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5835 144.09352 109186.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5836 151.03107 2225088.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5837 165.04663 474739.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5838 179.0621 93619.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5839
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5840 SCANNUMBER: 1845
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5841 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5842 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5843 FORMULA: C13H11N3OCl2F4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5844 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5845 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5846 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5847 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5848 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5849 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5850 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5851 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5852 COMPOUND_NAME: Tetraconazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5853 RETENTION_TIME: 6.434036
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5854 PRECURSOR_MZ: 372.0302
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5855 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5856 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5857 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5858 NUM PEAKS: 6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5859 115.05463 210733.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5860 149.01559 493803.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5861 150.02344 1143618.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5862 158.97679 15780315.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5863 176.96693 301907.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5864 184.99236 249943.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5865
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5866 SCANNUMBER: 2640
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5867 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5868 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5869 FORMULA: C15H15N3OClF3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5870 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5871 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5872 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5873 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5874 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5875 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5876 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5877 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5878 COMPOUND_NAME: Triflumizole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5879 RETENTION_TIME: 6.821252
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5880 PRECURSOR_MZ: 346.094
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5881 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5882 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5883 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5884 NUM PEAKS: 2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5885 278.05542 29552484.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5886 346.09351 955540.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5887
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5888 SCANNUMBER: 2549
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5889 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5890 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5891 FORMULA: C17H20N3OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5892 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5893 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5894 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5895 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5896 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5897 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5898 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5899 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5900 COMPOUND_NAME: Triticonazole
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5901 RETENTION_TIME: 6.793731
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5902 PRECURSOR_MZ: 318.1369
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5903 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5904 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5905 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5906 NUM PEAKS: 59
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5907 89.03882 57349.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5908 91.05464 43853.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5909 95.04953 68354.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5910 95.08585 78735.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5911 105.04505 52373.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5912 105.07019 44975.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5913 109.06509 75668.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5914 109.10148 51915.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5915 113.01572 53023.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5916 115.05463 68376.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5917 123.0806 45319.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5918 124.08866 67815.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5919 125.0157 4347652.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5920 127.01254 310325.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5921 128.06239 303332.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5922 130.078 46406.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5923 138.99483 44710.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5924 139.03134 105057.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5925 141.0033 76537.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5926 141.01048 71845.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5927 141.07028 162099.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5928 142.07797 64263.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5929 145.0649 84426.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5930 149.01559 164192.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5931 150.97079 108504.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5932 151.01263 78052.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5933 151.03107 81877.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5934 152.0202 168874.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5935 152.06247 59642.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5936 153.06992 138585.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5937 154.07816 168480.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5938 155.00728 52088.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5939 155.06064 174636.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5940 155.07307 63253.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5941 155.08603 105852.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5942 156.09389 497246.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5943 160.97346 52002.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5944 161.97681 59631.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5945 162.0233 93274.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5946 162.97058 1449389.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5947 163.0309 743940.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5948 165.04663 51233.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5949 165.06996 567265.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5950 166.07343 191274.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5951 167.0768 126513.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5952 167.08606 45824.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5953 174.97041 93433.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5954 175.0313 553302.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5955 176.03931 76155.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5956 177.04655 73758.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5957 178.96568 128779.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5958 181.10179 157033.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5959 185.07611 76498.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5960 188.98663 142622.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5961 189.04662 686868.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5962 189.05568 66741.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5963 190.04179 48399.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5964 191.06258 581232.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5965 196.12456 74697.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5966
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5967 SCANNUMBER: 3229
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5968 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5969 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5970 FORMULA: C43H69NO10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5971 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5972 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5973 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5974 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5975 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5976 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5977 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5978 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5979 COMPOUND_NAME: Spinetoram L
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5980 RETENTION_TIME: 6.970665
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5981 PRECURSOR_MZ: 760.5021
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5982 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5983 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	5984 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5985 NUM PEAKS: 21
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5986 85.06505 76410.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5987 87.04429 159491.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5988 95.04928 101292.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5989 97.06514 990457.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5990 98.09655 3217928.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5991 99.04415 293676.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5992 99.08067 604833.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5993 101.06004 88798.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5994 111.04435 94328.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5995 115.0755 369305.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5996 124.11241 164399.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5997 125.05997 306356.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5998 127.07556 185334.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	5999 142.12299 6861919.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6000 157.08623 113064.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6001 160.13321 150610.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6002 169.10155 133452.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6003 173.50752 93996.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6004 183.11732 117521.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6005 211.11166 121662.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6006 213.09132 89441.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6007
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6008 SCANNUMBER: 3373
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6009 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6010 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6011 FORMULA: C49H75NO13
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6012 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6013 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6014 SMILES: CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6015 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6016 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6017 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6018 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6019 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6020 COMPOUND_NAME: Emamectin benzoate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6021 RETENTION_TIME: 6.999389
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6022 PRECURSOR_MZ: 886.5328
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6023 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6024 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6025 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6026 NUM PEAKS: 11
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6027 95.04928 292923.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6028 98.06031 268499.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6029 108.08107 688810.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6030 109.10148 229513.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6031 114.0916 233366.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6032 119.08569 201386.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6033 123.11689 375128.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6034 126.09174 1876739.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6035 140.10709 213152.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6036 158.11794 18414448.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6037 173.50876 230972.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6038
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6039 SCANNUMBER: 1283
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6040 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6041 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6042 FORMULA: C20H33NO
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6043 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6044 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6045 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6046 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6047 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6048 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6049 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6050 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6051 COMPOUND_NAME: Fenpropimorph
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6052 RETENTION_TIME: 4.613603
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6053 PRECURSOR_MZ: 304.2642
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6054 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6055 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6056 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6057 NUM PEAKS: 14
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6058 91.05441 1025363.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6059 98.09655 5764430.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6060 102.09142 427096.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6061 105.0699 3838997.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6062 107.08563 608609.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6063 116.10709 2962134.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6064 117.06997 1187727.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6065 119.08569 5923314.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6066 130.1226 4460902.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6067 132.09351 5501752.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6068 145.10147 350602.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6069 147.11678 29169826.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6070 161.13254 881881.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6071 304.26379 2555976.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6072
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6073 SCANNUMBER: 4501
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6074 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6075 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6076 FORMULA: C21H24O4Cl2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6077 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6078 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6079 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6080 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6081 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6082 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6083 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6084 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6085 COMPOUND_NAME: Spirodiclofen
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6086 RETENTION_TIME: 7.279784
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6087 PRECURSOR_MZ: 411.1127
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6088 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6089 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6090 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6091 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6092 313.03357 548684.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6093 313.03952 12618725.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6094 411.11246 2380661.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6095
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6096 SCANNUMBER: 2899
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6097 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6098 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6099 FORMULA: C41H65NO10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6100 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6101 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6102 SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6103 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6104 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6105 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6106 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6107 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6108 COMPOUND_NAME: Spinosad
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6109 RETENTION_TIME: 6.884336
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6110 PRECURSOR_MZ: 732.4695
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6111 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6112 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6113 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6114 NUM PEAKS: 24
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6115 85.06505 290872.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6116 95.08585 281431.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6117 97.06514 4107321.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6118 98.09655 11811636.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6119 99.04415 1980639.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6120 99.08067 1702591.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6121 101.05976 1777858.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6122 113.05991 355791.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6123 115.0755 428942.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6124 124.11241 549097.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6125 125.05997 1372437.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6126 129.09106 504378.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6127 142.12299 24420248.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6128 145.08598 799808.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6129 155.08551 1085827.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6130 157.08623 650576.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6131 160.13321 457492.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6132 169.10155 538427.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6133 173.50937 310025.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6134 183.08075 246373.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6135 197.09599 753984.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6136 199.07574 416158.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6137 201.0916 354498.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6138 225.09103 339682.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6139
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6140 SCANNUMBER: 1978
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6141 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6142 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6143 FORMULA: C21H27NO5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6144 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6145 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6146 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6147 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6148 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6149 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6150 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6151 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6152 COMPOUND_NAME: Spirotetramat
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6153 RETENTION_TIME: 6.637813
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6154 PRECURSOR_MZ: 374.1972
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6155 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6156 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6157 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6158 NUM PEAKS: 25
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6159 117.07031 3145654.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6160 119.08569 1788706.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6161 131.08598 559926.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6162 143.08594 1443391.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6163 145.06535 755443.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6164 145.10147 3741174.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6165 147.08087 660014.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6166 155.08603 1939864.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6167 157.10155 488130.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6168 160.11253 518572.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6169 169.10155 615151.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6170 173.06003 2045691.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6171 173.09608 1047769.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6172 182.10933 614118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6173 183.11732 922964.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6174 188.10699 1101991.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6175 192.09375 469162.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6176 197.13313 1231311.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6177 207.11739 667038.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6178 216.10236 45921764.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6179 225.12729 615992.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6180 244.13345 5845476.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6181 253.12317 483222.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6182 270.14972 5260680.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6183 302.17508 467268.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6184
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6185 SCANNUMBER: 2785
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6186 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6187 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6188 FORMULA: C42H69NO10
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6189 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6190 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6191 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6192 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6193 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6194 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6195 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6196 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6197 COMPOUND_NAME: Spinetoram J
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6198 RETENTION_TIME: 6.875065
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6199 PRECURSOR_MZ: 748.4996
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6200 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6201 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6202 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6203 NUM PEAKS: 19
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6204 87.04429 367892.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6205 95.04928 288081.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6206 97.06488 2777411.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6207 98.09655 8992013.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6208 99.04415 801171.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6209 99.08067 1598443.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6210 111.04435 203657.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6211 115.0755 975367.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6212 124.11241 446241.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6213 125.05997 894301.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6214 127.07556 507677.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6215 142.12299 18851726.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6216 157.08623 430463.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6217 157.10155 1058798.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6218 160.13321 524113.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6219 171.11707 230127.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6220 199.11194 246050.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6221 203.10715 581698.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6222 217.12222 236328.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6223
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6224 SCANNUMBER: 1646
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6225 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6226 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6227 FORMULA: C25H24N4F6
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6228 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6229 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6230 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6231 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6232 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6233 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6234 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6235 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6236 COMPOUND_NAME: Hydramethylnon
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6237 RETENTION_TIME: 6.67979
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6238 PRECURSOR_MZ: 495.1986
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6239 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6240 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6241 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6242 NUM PEAKS: 48
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6243 86.09703 592073.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6244 97.07668 1102254.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6245 102.04713 162761.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6246 109.07671 152336.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6247 111.09241 210434.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6248 112.08799 1438576.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6249 112.1001 1334338.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6250 113.10799 1043525.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6251 126.10352 2018271.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6252 127.11132 687935.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6253 128.1188 2868988.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6254 151.03604 3123530.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6255 153.11414 318101.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6256 159.04243 1900688.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6257 163.12367 266550.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6258 169.04726 264978.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6259 171.04259 9972201.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6260 178.04718 949330.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6261 183.04219 978938.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6262 196.0376 218268.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6263 198.05374 693364.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6264 209.05803 231723.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6265 213.06461 1076938.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6266 214.04874 274804.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6267 218.05339 138241.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6268 223.04858 173264.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6269 225.06474 1428863.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6270 238.05968 4320120.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6271 239.08025 155000.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6272 247.08057 319312.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6273 253.14586 318558.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6274 255.08643 272181.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6275 267.08603 1563035.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6276 270.13541 250539.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6277 281.12677 392614.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6278 295.14307 440522.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6279 298.08517 500719.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6280 298.15424 170519.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6281 299.09323 317366.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6282 307.14276 192450.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6283 323.14941 13337730.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6284 328.07541 186287.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6285 334.15344 701456.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6286 348.08228 404641.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6287 353.0658 262110.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6288 366.07346 193709.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6289 368.08932 5815862.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6290 495.20059 2433116.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6291
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6292 SCANNUMBER: 742
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6293 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6294 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6295 FORMULA: C11H16N2O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6296 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6297 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6298 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6299 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6300 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6301 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6302 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6303 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6304 COMPOUND_NAME: Aminocarb_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6305 RETENTION_TIME: 0.8035756
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6306 PRECURSOR_MZ: 209.129
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6307 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6308 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6309 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6310 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6311 120.05733 176701.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6312 122.06016 1917070.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6313 136.07611 928093.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6314 137.08363 8823033.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6315 152.10725 186336.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6316
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6317 SCANNUMBER: 1198
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6318 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6319 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6320 FORMULA: C11H16N2O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6321 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6322 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6323 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6326 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6327 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6328 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6329 COMPOUND_NAME: Aminocarb_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6330 RETENTION_TIME: 1.13997
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6331 PRECURSOR_MZ: 209.129
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6332 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6333 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6334 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6335 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6336 120.05733 247123.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6337 122.06016 2666029.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6338 136.07611 1253139.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6339 137.08363 12201258.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6340 152.10725 242082.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6341
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6342 SCANNUMBER: 687
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6343 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6344 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6345 FORMULA: C9H20N2O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6346 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6347 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6348 SMILES: CCCOC(=NCCCN(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6349 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6350 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6351 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6352 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6353 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6354 COMPOUND_NAME: Propamocarb_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6355 RETENTION_TIME: 0.7535679
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6356 PRECURSOR_MZ: 189.1603
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6357 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6358 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6359 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6360 NUM PEAKS: 2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6361 86.0966 201548.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6362 102.05516 5038638.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6363
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6364 SCANNUMBER: 1108
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6365 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6366 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6367 FORMULA: C9H20N2O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6368 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6369 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6370 SMILES: CCCOC(=NCCCN(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6371 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6372 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6373 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6374 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6375 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6376 COMPOUND_NAME: Propamocarb_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6377 RETENTION_TIME: 1.081971
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6378 PRECURSOR_MZ: 189.1603
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6379 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6380 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6381 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6382 NUM PEAKS: 2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6383 86.0966 107829.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6384 102.05516 2507023.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6385
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6386 SCANNUMBER: 711
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6387 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6388 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6389 FORMULA: C11H15N3O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6390 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6391 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6392 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6393 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6394 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6395 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6396 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6397 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6398 COMPOUND_NAME: Formetanate_1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6399 RETENTION_TIME: 0.7730471
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6400 PRECURSOR_MZ: 222.1239
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6401 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6402 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6403 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6404 NUM PEAKS: 13
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6405 93.03365 1796.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6406 107.04935 1981.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6407 111.04435 82262.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6408 118.04142 1927.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6409 120.04462 150907.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6410 121.03984 67610.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6411 122.06016 5909.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6412 122.75254 1678.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6413 150.98424 1930.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6414 165.1024 143887.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6415 173.50876 2616.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6416 200.05632 2056.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6417 208.52768 2170.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6418
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6419 SCANNUMBER: 1161
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6420 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6421 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6422 FORMULA: C11H15N3O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6423 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6424 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6425 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6426 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6427 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6428 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6429 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6430 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6431 COMPOUND_NAME: Formetanate_2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6432 RETENTION_TIME: 1.13043
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6433 PRECURSOR_MZ: 222.1239
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6434 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6435 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6436 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6437 NUM PEAKS: 15
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6438 91.05441 6330.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6439 93.03365 27201.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6440 107.04935 4024.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6441 111.04435 131558.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6442 115.05429 3711.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6443 117.06996 5571.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6444 118.04177 4476.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6445 120.04462 274740.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6446 121.03984 113412.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6447 122.06016 7843.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6448 124.07605 4049.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6449 135.04427 4178.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6450 145.06488 3067.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6451 164.95049 3848.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6452 165.1024 263802.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6453
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6454 SCANNUMBER: 1328
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6455 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6456 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6457 FORMULA: C12H18N2O2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6458 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6459 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6460 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6461 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6462 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6463 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6464 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6465 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6466 COMPOUND_NAME: Mexacarbate
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6467 RETENTION_TIME: 1.682191
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6468 PRECURSOR_MZ: 223.1443
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6469 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6470 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6471 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6472 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6473 134.07283 2632951.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6474 136.07611 26036728.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6475 150.092 1572118.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6476 151.09932 54847764.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6477 166.12282 1541928.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6478
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6479 SCANNUMBER: 3999
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6480 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6481 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6482 FORMULA: C19H21N2OCl
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6483 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6484 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6485 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6486 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6487 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6488 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6489 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6490 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6491 COMPOUND_NAME: Monceren
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6492 RETENTION_TIME: 7.14553
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6493 PRECURSOR_MZ: 329.1426
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6494 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6495 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6496 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6497 NUM PEAKS: 5
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6498 89.03881 550831.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6499 94.06543 635265.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6500 106.06545 446416.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6501 125.01307 512150.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6502 125.01532 37442116.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6503
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6504 SCANNUMBER: 2271
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6505 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6506 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6507 FORMULA: C16H16N2O4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6508 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6509 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6510 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6511 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6512 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6513 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6514 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6515 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6516 COMPOUND_NAME: Desmedipham
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6517 RETENTION_TIME: 6.430396
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6518 PRECURSOR_MZ: 301.1192
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6519 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6520 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6521 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6522 NUM PEAKS: 3
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6523 136.03947 1773399.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6524 154.04993 1002798.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6525 182.08162 6480130.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6526
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6527 SCANNUMBER: 2458
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6528 IONMODE: Positive
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6529 SPECTRUMTYPE: Centroid
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6530 FORMULA: C16H16N2O4
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6531 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6532 INCHI:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6533 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6534 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6535 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6536 IONIZATION: ESI+
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6537 LICENSE: CC BY-NC
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6538 COMMENT:
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6539 COMPOUND_NAME: Phenmedipham
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6540 RETENTION_TIME: 6.570995
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6541 PRECURSOR_MZ: 301.1185
9 4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6542 ADDUCT: [M+H]+
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6543 COLLISION_ENERGY:
4015f250a5a1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32 recetox parents: 7 diff changeset	6544 INSTRUMENT_TYPE: LC-ESI-Orbitrap
7 b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6545 NUM PEAKS: 2
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6546 136.03947 2596929.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6547 168.06587 7038054.0
b768248c37d0 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52 recetox parents: diff changeset	6548

Mercurial > repos > recetox > matchms

annotate test-data/convert/msp_out.msp @ 9:4015f250a5a1 draft default tip