matchms_similarity: test-data/convert/msp

annotate test-data/convert/msp_out.msp @ 0:e5010b19d64d draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e

author	recetox
date	Tue, 27 Jun 2023 14:26:29 +0000
parents
children

rev	line source
0 e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1 SCANNUMBER: 1161
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4 FORMULA: C4H10NO3PS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	7 SMILES: COP(=O)(N=C(O)C)SC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	8 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	9 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	10 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	11 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	12 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	13 COMPOUND_NAME: Acephate
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	14 RETENTION_TIME: 1.232997
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	15 PRECURSOR_MZ: 184.0194
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	16 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	17 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	18 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	19 NUM PEAKS: 16
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	20 90.09368 1128.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	21 93.11512 1241.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	22 95.10279 1118.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	23 101.31465 1152.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	24 102.90688 1322.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	25 103.98039 1201.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	26 112.01607 12289.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	27 112.99994 38027.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	28 115.00399 1634.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	29 124.98121 922.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	30 128.97701 9208.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	31 132.57193 1350.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	32 135.84808 1428.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	33 142.99275 16419.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	34 147.94205 1750.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	35 173.5094 2353.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	36
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	37 SCANNUMBER: 2257
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	38 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	39 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	40 FORMULA: C12H11NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	41 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	42 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	43 SMILES: CN=C(Oc1cccc2c1cccc2)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	44 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	45 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	46 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	47 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	48 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	49 COMPOUND_NAME: Carbaryl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	50 RETENTION_TIME: 5.259445
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	51 PRECURSOR_MZ: 202.0863
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	52 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	53 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	54 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	55 NUM PEAKS: 1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	56 145.06491 1326147.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	57
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	58 SCANNUMBER: 1516
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	59 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	60 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	61 FORMULA: C8H16NO5P
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	62 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	63 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	64 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	65 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	66 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	67 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	68 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	69 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	70 COMPOUND_NAME: Dicrotophos
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	71 RETENTION_TIME: 2.025499
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	72 PRECURSOR_MZ: 238.0844
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	73 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	74 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	75 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	76 NUM PEAKS: 5
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	77 112.074 102027.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	78 112.07591 9070987.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	79 127.01563 3230337.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	80 193.02605 7897744.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	81 238.08437 2973124.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	82
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	83 SCANNUMBER: 1865
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	84 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	85 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	86 FORMULA: C5H12NO3PS2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	87 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	88 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	89 SMILES: CN=C(CSP(=S)(OC)OC)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	90 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	91 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	92 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	93 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	94 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	95 COMPOUND_NAME: Dimethoate
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	96 RETENTION_TIME: 2.866696
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	97 PRECURSOR_MZ: 230.0072
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	98 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	99 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	100 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	101 NUM PEAKS: 8
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	111 SCANNUMBER: 3852
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	113 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	114 FORMULA: C21H22NO4Cl
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	116 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	117 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	118 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	119 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	120 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	121 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	122 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	123 COMPOUND_NAME: Dimethomorph
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	124 RETENTION_TIME: 7.060486
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	126 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	127 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	153 SCANNUMBER: 1009
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	154 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	155 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	156 FORMULA: C2H8NO2PS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	157 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	158 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	159 SMILES: COP(=O)(SC)N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	160 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	161 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	162 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	163 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	164 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	165 COMPOUND_NAME: Methamidophos
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	166 RETENTION_TIME: 1.153307
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	167 PRECURSOR_MZ: 142.0089
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	168 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	169 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	170 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	171 NUM PEAKS: 4
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	177 SCANNUMBER: 1924
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	178 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	179 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	180 FORMULA: C7H13O6P
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	181 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	182 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	183 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	184 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	185 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	186 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	187 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	188 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	189 COMPOUND_NAME: Mevinphos
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	190 RETENTION_TIME: 2.876307
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	191 PRECURSOR_MZ: 225.0525
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	192 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	193 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	194 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	195 NUM PEAKS: 4
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	199 225.05209 101872.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	200
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	201 SCANNUMBER: 1246
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	202 IONMODE: Positive
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	208 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	226 SCANNUMBER: 5447
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	231 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	233 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	235 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	290 SCANNUMBER: 1625
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	295 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	297 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	298 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	299 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	300 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	301 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	302 COMPOUND_NAME: Trichlorfon
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	303 RETENTION_TIME: 2.242985
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	314 SCANNUMBER: 2002
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	319 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	321 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	326 COMPOUND_NAME: Vamidothion
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	327 RETENTION_TIME: 2.914602
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	330 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	337 SCANNUMBER: 1209
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	342 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	344 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	346 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	348 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	349 COMPOUND_NAME: Aldicarb sulfone
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	350 RETENTION_TIME: 1.483623
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	366 SCANNUMBER: 4766
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	371 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	373 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	374 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	375 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	377 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	378 COMPOUND_NAME: Benfuracarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	379 RETENTION_TIME: 7.163228
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	380 PRECURSOR_MZ: 411.1956
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	511 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	513 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	515 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	517 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	518 COMPOUND_NAME: Methabenzthiazuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	519 RETENTION_TIME: 6.711947
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	521 ADDUCT: [M+H]+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	539 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	541 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	542 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	543 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	544 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	545 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	546 COMPOUND_NAME: Tebuthiuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	547 RETENTION_TIME: 4.241355
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	548 PRECURSOR_MZ: 229.1121
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	549 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	550 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	563 SCANNUMBER: 2185
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	564 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	565 SPECTRUMTYPE: Centroid
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	569 SMILES: OC(=Nc1ccccc1)Nc1cnns1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	570 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	571 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	572 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	574 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	575 COMPOUND_NAME: Thidiazuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	576 RETENTION_TIME: 4.909884
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	578 ADDUCT: [M+H]+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	590 SCANNUMBER: 2307
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	592 SPECTRUMTYPE: Centroid
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	595 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	596 SMILES: CCSCc1ccccc1OC(=NC)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	597 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	598 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	599 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	600 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	601 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	602 COMPOUND_NAME: Ethiofencarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	603 RETENTION_TIME: 5.074083
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	623 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	628 COMPOUND_NAME: Methiocarb
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	647 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	677 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	729 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	731 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	733 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	736 COMPOUND_NAME: Chlortoluron
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	763 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	765 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	766 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	767 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	769 COMMENT:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	771 RETENTION_TIME: 5.00998
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	788 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	789 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	793 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	794 COMPOUND_NAME: Diethofencarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	795 RETENTION_TIME: 6.124817
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	798 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	800 NUM PEAKS: 7
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	814 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	816 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	817 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	818 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	819 LICENSE: CC BY-NC
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	821 COMPOUND_NAME: Diflubenzuron
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	824 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	825 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	835 FORMULA: C9H10N2OCl2
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	837 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	839 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	843 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	844 COMPOUND_NAME: Diuron
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	847 ADDUCT: [M+H]+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	867 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	868 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	869 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	872 COMPOUND_NAME: Dioxacarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	873 RETENTION_TIME: 2.808769
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	874 PRECURSOR_MZ: 224.092
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	875 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	876 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	891 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	892 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	893 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	894 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	895 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	896 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	897 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	898 COMPOUND_NAME: Bendiocarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	899 RETENTION_TIME: 4.036841
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	900 PRECURSOR_MZ: 224.092
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	901 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	902 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	903 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	904 NUM PEAKS: 4
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	910 SCANNUMBER: 2735
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	911 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	912 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	913 FORMULA: C12H17NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	914 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	915 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	916 SMILES: CCC(c1ccccc1OC(=NC)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	917 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	918 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	919 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	920 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	921 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	922 COMPOUND_NAME: Fenobucarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	923 RETENTION_TIME: 5.279047
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	924 PRECURSOR_MZ: 208.1339
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	925 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	926 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	927 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	928 NUM PEAKS: 5
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	935 SCANNUMBER: 7794
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	936 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	937 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	938 FORMULA: C21H11N2O3ClF6
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	940 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	941 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	942 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	943 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	944 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	946 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	947 COMPOUND_NAME: Flufenoxuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	948 RETENTION_TIME: 7.258582
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	949 PRECURSOR_MZ: 489.044
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	950 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	951 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	952 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	953 NUM PEAKS: 9
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	964 SCANNUMBER: 1879
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	969 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	970 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	971 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	972 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	973 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	975 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	976 COMPOUND_NAME: Fluometuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	977 RETENTION_TIME: 4.295248
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	979 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	980 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	982 NUM PEAKS: 14
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	999 IONMODE: Positive
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1002 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1003 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1004 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1005 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1006 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1007 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1008 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1009 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1010 COMPOUND_NAME: Forchlorfenuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1011 RETENTION_TIME: 6.068144
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1012 PRECURSOR_MZ: 248.0593
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1013 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1014 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1015 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1016 NUM PEAKS: 6
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1024 SCANNUMBER: 1109
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1025 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1026 SPECTRUMTYPE: Centroid
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1028 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1029 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1030 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1031 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1032 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1033 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1035 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1036 COMPOUND_NAME: 3-Hydroxycarbofuran
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1037 RETENTION_TIME: 2.534817
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1038 PRECURSOR_MZ: 238.1075
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1039 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1040 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1041 INSTRUMENT_TYPE: LC-ESI-Orbitrap
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1051 SCANNUMBER: 7519
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1053 SPECTRUMTYPE: Centroid
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1056 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1058 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1059 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1060 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1061 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1062 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1063 COMPOUND_NAME: Indoxacarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1064 RETENTION_TIME: 7.23968
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1065 PRECURSOR_MZ: 528.0795
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1066 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1067 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1103 215.04312 81774.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1106 219.03232 457473.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1107 223.01553 87858.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1108
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1109 SCANNUMBER: 3798
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1110 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1111 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1112 FORMULA: C18H28N2O3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1113 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1114 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1115 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1116 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1117 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1118 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1119 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1120 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1121 COMPOUND_NAME: Iprovalicarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1122 RETENTION_TIME: 6.291288
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1123 PRECURSOR_MZ: 321.218
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1124 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1125 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1126 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1127 NUM PEAKS: 9
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1128 116.07085 2061421.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1129 117.10262 213026.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1131 144.06569 976637.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1132 158.11795 349762.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1133 161.09248 110448.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1134 186.11298 1809182.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1135 203.13902 3619220.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1136 321.21719 658523.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1137
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1138 SCANNUMBER: 2221
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1139 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1140 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1141 FORMULA: C12H18N2O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1142 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1143 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1144 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1145 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1146 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1147 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1148 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1149 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1150 COMPOUND_NAME: Isoproturon
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1151 RETENTION_TIME: 4.953308
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1152 PRECURSOR_MZ: 207.1494
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1153 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1154 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1155 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1156 NUM PEAKS: 27
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1157 91.05442 804905.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1158 92.04957 254047.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1160 93.07003 116103.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1161 94.06519 63492.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1162 95.04929 164116.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1163 103.05439 51947.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1164 104.0621 43995.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1165 105.04477 78368.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1166 105.06991 101627.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1167 106.06517 86652.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1168 107.08415 19657.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1169 107.08563 575392.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1170 108.08108 26529.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1171 109.0651 34575.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1172 115.05431 109513.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1173 117.06998 312366.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1174 118.06519 123299.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1175 119.0606 36796.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1176 119.07315 606574.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1177 120.04464 242145.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1179 134.0966 1730390.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1180 137.09615 58215.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1181 147.0919 129941.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1182 162.09142 42617.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1183 165.10242 74899.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1184
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1185 SCANNUMBER: 3991
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1186 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1187 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1188 FORMULA: C9H10N2O2Cl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1189 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1190 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1191 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1192 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1193 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1194 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1195 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1196 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1197 COMPOUND_NAME: Linuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1198 RETENTION_TIME: 6.428301
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1199 PRECURSOR_MZ: 249.0202
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1200 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1201 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1202 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1203 NUM PEAKS: 17
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1204 123.99524 160993.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1205 125.00295 934482.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1206 126.01085 53171.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1207 127.0187 34132.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1208 132.96072 2098030.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1209 133.96875 42332.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1210 142.00574 58394.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1211 153.02165 907640.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1212 154.02942 31975.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1213 159.97182 1453641.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1214 160.97951 1564652.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1215 165.02161 76894.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1216 167.0009 34764.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1217 173.98759 32777.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1218 181.0168 457538.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1219 182.02429 570846.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1220 216.99352 182540.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1221
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1222 SCANNUMBER: 2948
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1223 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1224 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1225 FORMULA: C9H11N2O2Br
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1226 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1227 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1228 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1229 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1230 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1231 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1232 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1233 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1234 COMPOUND_NAME: Metobromuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1235 RETENTION_TIME: 5.555997
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1236 PRECURSOR_MZ: 259.0081
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1237 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1238 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1239 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1240 NUM PEAKS: 15
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1241 90.03403 60649.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1243 92.04957 214805.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1244 93.0575 47461.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1245 110.06014 105724.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1246 119.0606 1438162.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1247 120.06829 52547.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1248 131.06062 84354.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1249 142.94916 1281698.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1250 147.05553 745419.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1251 148.06332 717928.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1252 169.95995 3654354.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1253 170.96819 2866842.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1254 183.97557 70285.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1255 226.98169 352678.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1256
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1257 SCANNUMBER: 2345
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1258 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1259 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1260 FORMULA: C9H11N2O2Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1261 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1262 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1263 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1264 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1265 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1266 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1267 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1268 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1269 COMPOUND_NAME: Monolinuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1270 RETENTION_TIME: 5.086284
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1271 PRECURSOR_MZ: 215.0587
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1272 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1273 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1274 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1275 NUM PEAKS: 16
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1276 90.03403 245033.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1277 91.04183 266487.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1278 92.0498 149734.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1279 93.0575 65470.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1280 98.99973 5081895.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1281 100.00744 171810.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1282 119.0606 1725493.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1283 120.06829 76212.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1284 126.01085 4292995.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1285 127.01831 4179362.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1286 131.06062 91755.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1287 140.02657 95768.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1288 141.02174 52283.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1289 147.05553 873918.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1290 148.06332 1071865.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1291 183.03224 448058.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1292
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1293 SCANNUMBER: 6056
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1294 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1295 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1296 FORMULA: C17H19NO4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1297 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1298 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1299 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1300 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1301 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1302 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1303 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1304 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1305 COMPOUND_NAME: Fenoxycarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1306 RETENTION_TIME: 7.007411
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1307 PRECURSOR_MZ: 302.1392
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1308 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1309 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1310 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1311 NUM PEAKS: 4
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1316
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1317 SCANNUMBER: 1173
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1318 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1319 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1320 FORMULA: C9H12N2O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1321 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1322 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1323 SMILES: CN(C(=Nc1ccccc1)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1326 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1327 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1328 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1329 COMPOUND_NAME: Fenuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1330 RETENTION_TIME: 2.603287
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1331 PRECURSOR_MZ: 165.1026
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1332 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1333 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1334 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1335 NUM PEAKS: 8
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1344
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1345 SCANNUMBER: 2001
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1346 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1347 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1348 FORMULA: C11H15NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1349 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1350 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1351 SMILES: CN=C(Oc1ccccc1C(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1352 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1353 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1354 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1355 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1356 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1357 COMPOUND_NAME: Isoprocarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1358 RETENTION_TIME: 4.552796
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1359 PRECURSOR_MZ: 194.1181
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1360 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1361 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1362 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1363 NUM PEAKS: 4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1364 95.04929 1741248.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1369 SCANNUMBER: 8910
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1370 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1371 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1372 FORMULA: C19H18N3O4Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1373 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1374 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1375 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1376 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1377 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1378 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1379 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1380 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1381 COMPOUND_NAME: Pyraclostrobin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1382 RETENTION_TIME: 7.421628
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1383 PRECURSOR_MZ: 388.107
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1384 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1385 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1386 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1387 NUM PEAKS: 11
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1388 162.0554 983545.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1398 388.10776 6476718.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1399
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1400 SCANNUMBER: 3358
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1401 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1402 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1403 FORMULA: C14H20N2O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1404 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1405 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1406 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1407 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1408 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1409 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1410 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1411 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1412 COMPOUND_NAME: Siduron_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1413 RETENTION_TIME: 5.922128
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1414 PRECURSOR_MZ: 233.1652
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1415 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1416 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1417 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1418 NUM PEAKS: 8
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1419 92.0498 933541.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1420 93.0575 170423.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1421 94.06544 14211722.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1422 95.04929 2073643.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1423 97.10134 599721.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1424 105.04506 1075144.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1425 120.04464 1602718.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1426 137.07117 1760320.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1427
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1428 SCANNUMBER: 3451
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1429 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1430 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1431 FORMULA: C14H20N2O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1432 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1433 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1434 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1435 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1436 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1437 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1438 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1439 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1440 COMPOUND_NAME: Siduron_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1441 RETENTION_TIME: 6.048454
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1442 PRECURSOR_MZ: 233.1654
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1443 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1444 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1445 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1446 NUM PEAKS: 8
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1447 92.04957 227079.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1448 93.0575 48287.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1449 94.06519 3308508.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1450 95.04929 491391.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1451 97.10134 147324.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1452 105.04477 331107.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1453 120.04464 414038.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1454 137.07117 494688.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1455
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1456 SCANNUMBER: 6489
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1457 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1458 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1459 FORMULA: C12H16NOClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1460 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1461 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1462 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1463 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1464 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1465 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1466 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1467 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1468 COMPOUND_NAME: Thiobencarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1469 RETENTION_TIME: 7.094566
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1470 PRECURSOR_MZ: 258.0717
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1471 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1472 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1473 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1474 NUM PEAKS: 3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1475 89.03883 1114558.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1476 98.99973 585236.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1477 125.01533 28327212.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1478
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1479 SCANNUMBER: 5946
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1480 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1481 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1482 FORMULA: C15H10N2O3ClF3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1483 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1484 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1485 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1486 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1487 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1488 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1489 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1490 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1491 COMPOUND_NAME: Triflumuron
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1492 RETENTION_TIME: 6.978649
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1493 PRECURSOR_MZ: 359.0412
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1494 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1495 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1496 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1497 NUM PEAKS: 7
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1498 113.01541 658622.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1499 129.01042 138249.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1501 138.99484 9851099.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1502 139.00452 474854.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1503 156.02116 3353307.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1504 178.04784 200379.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1505
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1506 SCANNUMBER: 3629
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1507 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1508 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1509 FORMULA: C10H13NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1510 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1511 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1512 SMILES: CC(OC(=Nc1ccccc1)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1513 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1514 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1515 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1516 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1517 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1518 COMPOUND_NAME: Propham
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1519 RETENTION_TIME: 6.134321
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1520 PRECURSOR_MZ: 180.1022
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1521 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1522 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1523 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1524 NUM PEAKS: 13
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1525 91.05442 8291.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1526 93.0575 2806.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1527 95.04929 8647.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1528 96.04461 67785.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1529 97.02845 206258.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1530 105.0335 4841.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1531 105.04477 6538.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1532 106.02882 185730.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1533 109.02843 2611.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1534 117.0574 2236.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1535 124.03935 187312.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1536 134.0237 14609.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1537 152.0343 3135.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1538
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1539 SCANNUMBER: 1562
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1540 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1541 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1542 FORMULA: C11H15NO3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1543 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1544 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1545 SMILES: CN=C(Oc1ccccc1OC(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1546 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1547 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1548 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1549 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1550 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1551 COMPOUND_NAME: Propoxur
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1552 RETENTION_TIME: 3.894733
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1553 PRECURSOR_MZ: 210.1129
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1554 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1555 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1556 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1557 NUM PEAKS: 6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1558 93.03366 11976.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1559 111.04436 1112660.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1560 153.09126 254920.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1561 168.06589 785437.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1562 199.97662 26875.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1563 210.11256 38244.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1564
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1565 SCANNUMBER: 4942
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1566 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1567 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1568 FORMULA: C12H16N2OCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1569 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1570 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1571 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1572 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1573 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1574 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1575 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1576 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1577 COMPOUND_NAME: Neburon
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1578 RETENTION_TIME: 6.834164
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1579 PRECURSOR_MZ: 275.0721
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1580 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1581 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1582 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1583 NUM PEAKS: 12
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1584 88.11217 614563.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1585 114.09161 31817.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1586 123.99487 30163.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1587 125.00258 66386.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1588 127.01831 315476.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1589 132.96072 198326.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1590 152.99777 149347.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1591 159.97182 1502459.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1592 161.98734 127589.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1593 172.9666 45053.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1594 173.50816 20256.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1595 187.96652 106090.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1596
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1597 SCANNUMBER: 1410
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1598 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1599 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1600 FORMULA: C11H18N4O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1601 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1602 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1603 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1604 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1605 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1606 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1607 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1608 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1609 COMPOUND_NAME: Pirimicarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1610 RETENTION_TIME: 2.886323
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1611 PRECURSOR_MZ: 239.1508
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1612 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1613 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1614 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1615 NUM PEAKS: 16
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1616 85.07622 1062158.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1618 109.07641 1234692.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1620 124.06345 155955.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1621 137.07117 726268.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1623 139.08681 37108.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1625 152.08211 433568.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1626 166.09756 38582.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1631 195.16029 68565.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1632
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1633 SCANNUMBER: 3089
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1634 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1635 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1636 FORMULA: C12H17NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1637 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1638 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1639 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1640 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1641 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1642 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1643 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1644 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1645 COMPOUND_NAME: Promecarb
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1646 RETENTION_TIME: 5.65392
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1647 PRECURSOR_MZ: 208.1339
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1648 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1649 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1650 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1651 NUM PEAKS: 3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1652 109.0651 1911986.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1653 151.1118 3833728.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1654 208.13309 173991.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1655
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1656 SCANNUMBER: 2984
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1657 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1658 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1659 FORMULA: C9H17N5S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1660 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1661 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1662 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1663 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1664 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1665 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1666 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1667 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1668 COMPOUND_NAME: Ametryn
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1669 RETENTION_TIME: 4.38309
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1670 PRECURSOR_MZ: 228.1282
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1671 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1672 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1673 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1674 NUM PEAKS: 15
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1675 85.05116 494786.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1677 96.05421 57071.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1679 102.03746 125646.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1680 110.04619 527391.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1681 113.08218 433234.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1682 116.0279 3479269.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1683 138.07761 1659836.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1684 140.09331 43027.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1685 144.05919 1428619.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1686 158.04967 1355067.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1687 184.06534 61690.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1688 186.08095 4152044.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1689 228.12772 94575.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1690
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1691 SCANNUMBER: 7002
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1692 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1693 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1694 FORMULA: C22H17N3O5
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1695 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1696 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1697 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1698 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1699 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1700 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1701 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1702 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1703 COMPOUND_NAME: Azoxystrobin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1704 RETENTION_TIME: 6.9269
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1705 PRECURSOR_MZ: 404.1249
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1706 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1707 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1708 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1709 NUM PEAKS: 46
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1718 145.0527 469026.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1754 344.10461 2718360.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1755 372.10004 167044.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1756
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1757 SCANNUMBER: 7850
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1758 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1759 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1760 FORMULA: C20H23NO3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1761 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1762 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1763 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1764 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1765 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1766 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1767 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1768 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1769 COMPOUND_NAME: Benalaxyl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1770 RETENTION_TIME: 7.079875
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1771 PRECURSOR_MZ: 326.1756
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1772 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1773 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1774 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1775 NUM PEAKS: 8
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1776 91.05441 11560916.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1777 105.0702 367839.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1778 106.06546 647312.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1779 120.081 385637.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1780 121.08883 11501126.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1781 122.09673 517871.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1782 133.08878 546024.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1783 148.11217 23207426.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1784
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1785 SCANNUMBER: 6328
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1786 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1787 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1788 FORMULA: C18H12N2OCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1789 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1790 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1791 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1792 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1793 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1794 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1795 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1796 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1797 COMPOUND_NAME: Boscalid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1798 RETENTION_TIME: 6.811709
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1799 PRECURSOR_MZ: 343.0408
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1800 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1801 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1802 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1803 NUM PEAKS: 27
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1830 307.06335 2958245.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1831
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1832 SCANNUMBER: 2756
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1833 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1834 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1835 FORMULA: C12H16N2O3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1836 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1837 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1838 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1839 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1840 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1841 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1842 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1843 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1844 COMPOUND_NAME: Carbetamide
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1845 RETENTION_TIME: 3.923062
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1846 PRECURSOR_MZ: 237.1238
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1847 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1848 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1849 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1850 NUM PEAKS: 12
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1851 85.07622 86855.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1858 164.0705 45687.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1859 192.0659 2143350.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1862 237.12401 187935.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1863
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1864 SCANNUMBER: 6914
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1865 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1866 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1867 FORMULA: C15H14N3O3Cl2F3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1868 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1869 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1870 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1871 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1872 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1873 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1874 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1875 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1876 COMPOUND_NAME: Carfentrazone ethyl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1877 RETENTION_TIME: 6.898515
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1878 PRECURSOR_MZ: 412.045
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1879 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1880 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1881 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1882 NUM PEAKS: 75
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1888 169.00954 280404.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1889 169.99326 139258.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1890 176.0387 59605.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1891 176.96758 2472383.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1892 183.0123 267100.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1893 183.99632 81664.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1894 186.01216 91455.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1895 194.98845 136592.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1896 195.99637 326492.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1897 197.00471 52605.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1898 201.9623 154634.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1899 203.97847 447264.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1900 204.96245 1832179.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1901 206.02895 92544.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1902 207.03662 171674.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1903 209.02803 384802.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1904 209.99982 113563.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1905 211.00719 472507.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1906 212.01517 66934.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1907 213.00288 312895.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1908 214.01096 51013.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1909 215.02534 55407.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1910 220.9915 95557.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1911 221.97609 58129.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1912 222.00006 181469.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1913 223.00748 74723.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1914 223.9912 1241221.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1915 226.03568 99992.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1916 227.98999 56867.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1917 228.9734 154659.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1918 228.99759 849754.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1919 229.9576 291454.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1920 230.96507 364210.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1921 231.97353 309882.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1922 232.98094 634253.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1923 233.00957 190835.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1924 233.99303 64478.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1925 236.01566 50291.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1926 239.00291 79639.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1927 240.99757 4112806.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1928 242.00581 1279056.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1929 246.98367 100821.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1930 248.98016 83634.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1931 248.9865 48588.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1932 249.9944 112801.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1933 251.02658 84213.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1934 252.03403 720952.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1935 256.96869 464576.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1936 257.95212 120792.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1937 258.96021 600062.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1938 261.00433 486923.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1939 268.00449 56951.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1940 268.99277 70677.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1941 270.00082 107703.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1942 270.98462 439596.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1943 274.97897 367619.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1944 276.97476 4577284.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1945 280.02945 127558.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1946 282.0246 396042.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1947 284.96323 117220.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1948 288.01102 1894072.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1949 290.03122 319337.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1950 298.97946 85527.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1951 302.03137 2921622.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1952 303.0383 181158.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1953 316.00662 372285.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1954 318.00153 484008.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1955 320.04153 58056.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1956 338.00775 410316.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1957 345.99677 2618042.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1958
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1959 SCANNUMBER: 5260
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1960 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1961 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1962 FORMULA: C18H14N5O2BrCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1963 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1964 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1965 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1966 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1967 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1968 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1969 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1970 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1971 COMPOUND_NAME: Chlorantraniliprole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1972 RETENTION_TIME: 6.589343
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1973 PRECURSOR_MZ: 481.9785
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1974 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1975 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1976 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1977 NUM PEAKS: 4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1978 283.92297 5735542.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1979 450.93774 4907420.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1980 463.96796 71876.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1981 481.97949 1501231.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1982
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1983 SCANNUMBER: 9818
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1984 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1985 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1986 FORMULA: C14H8N4Cl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1987 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1988 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1989 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1990 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1991 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1992 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1993 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1994 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1995 COMPOUND_NAME: Clofentezine
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1996 RETENTION_TIME: 7.397017
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1997 PRECURSOR_MZ: 303.0207
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1998 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	1999 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2000 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2001 NUM PEAKS: 5
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2002 92.0498 44376.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2003 102.03414 382179.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2004 120.04463 495630.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2005 130.04021 2783936.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2006 138.01057 2494447.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2007
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2008 SCANNUMBER: 5584
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2009 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2010 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2011 FORMULA: C14H15N3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2012 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2013 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2014 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2015 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2016 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2017 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2018 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2019 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2020 COMPOUND_NAME: Cyprodinil
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2021 RETENTION_TIME: 6.669806
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2022 PRECURSOR_MZ: 226.1346
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2023 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2024 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2025 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2026 NUM PEAKS: 68
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2094 226.13422 16374867.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2095
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2096 SCANNUMBER: 614
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2097 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2098 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2099 FORMULA: C6H10N6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2100 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2101 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2102 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2103 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2104 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2105 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2106 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2107 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2108 COMPOUND_NAME: Cyromazine_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2109 RETENTION_TIME: 0.7250975
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2110 PRECURSOR_MZ: 167.1043
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2111 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2112 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2113 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2114 NUM PEAKS: 9
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2115 85.05116 569181.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2117 110.0462 49797.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2118 125.08251 178192.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2119 127.07288 24861.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2120 139.07271 33973.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2121 150.0777 7345.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2122 151.07292 35146.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2123 167.10403 54669.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2124
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2125 SCANNUMBER: 946
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2126 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2127 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2128 FORMULA: C6H10N6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2129 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2130 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2131 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2132 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2133 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2134 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2135 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2136 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2137 COMPOUND_NAME: Cyromazine_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2138 RETENTION_TIME: 1.057777
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2139 PRECURSOR_MZ: 167.1043
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2140 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2141 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2142 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2143 NUM PEAKS: 12
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2144 85.05095 323769.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2145 100.08693 5287.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2146 108.05576 223896.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2147 110.0462 30873.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2148 112.06189 4105.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2149 125.08213 95867.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2150 127.07288 11228.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2151 139.07271 22781.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2152 150.0777 3986.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2153 151.07292 16833.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2154 155.01868 3272.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2155 167.10403 33800.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2156
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2157 SCANNUMBER: 7508
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2158 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2159 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2160 FORMULA: C19H22N2O3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2161 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2162 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2163 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2164 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2165 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2166 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2167 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2168 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2169 COMPOUND_NAME: Dimoxystrobin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2170 RETENTION_TIME: 7.042906
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2171 PRECURSOR_MZ: 327.1716
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2172 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2173 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2174 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2175 NUM PEAKS: 25
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2176 89.03882 267042.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2177 91.05465 1177860.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2178 92.05786 587003.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2179 106.06546 63219.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2180 116.0497 4287725.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2181 117.0574 207058.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2182 118.06553 62777.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2183 121.06523 72575.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2184 121.08883 992075.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2185 122.09238 613096.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2186 134.06033 559976.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2187 135.08092 79495.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2188 148.07639 58182.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2189 148.11266 1671042.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2190 149.10986 53924.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2191 149.11572 1649040.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2192 178.0778 129475.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2193 180.08119 207313.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2202 SCANNUMBER: 11226
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2203 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2204 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2205 FORMULA: C20H22N2O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2206 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2207 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2208 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2209 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2210 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2211 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2212 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2213 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2214 COMPOUND_NAME: Fenazaquin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2215 RETENTION_TIME: 7.977267
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2216 PRECURSOR_MZ: 307.1813
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2217 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2218 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2219 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2220 NUM PEAKS: 14
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2235
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2236 SCANNUMBER: 5614
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2237 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2238 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2239 FORMULA: C14H17NO2Cl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2240 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2241 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2242 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2243 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2244 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2245 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2246 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2247 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2248 COMPOUND_NAME: Fenhexamid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2249 RETENTION_TIME: 6.679342
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2250 PRECURSOR_MZ: 302.0717
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2251 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2252 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2253 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2254 NUM PEAKS: 6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2255 95.01299 111399.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2259 177.98218 162637.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2260 302.0708 49250.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2261
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2262 SCANNUMBER: 10879
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2263 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2264 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2265 FORMULA: C24H27N3O4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2266 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2267 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2268 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2271 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2272 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2273 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2274 COMPOUND_NAME: Fenpyroximate
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2275 RETENTION_TIME: 7.825895
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2276 PRECURSOR_MZ: 422.2081
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2277 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2278 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2279 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2280 NUM PEAKS: 90
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2281 91.04206 117996.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2282 91.05465 106024.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2283 92.0498 87696.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2284 93.05774 260654.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2285 94.04169 108699.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2286 95.04953 62385.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2288 96.06861 923552.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2289 104.04984 232471.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2290 106.06546 218843.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2291 107.02439 77423.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2371
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2372 SCANNUMBER: 1609
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2373 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2374 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2375 FORMULA: C9H6N3OF3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2376 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2377 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2378 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2379 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2380 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2381 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2382 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2383 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2384 COMPOUND_NAME: Flonicamid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2385 RETENTION_TIME: 1.603478
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2386 PRECURSOR_MZ: 230.054
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2387 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2388 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2389 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2390 NUM PEAKS: 22
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2391 98.04052 1513015.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2414 SCANNUMBER: 7721
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2419 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2420 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2421 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2422 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2423 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2424 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2425 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2426 COMPOUND_NAME: Fluoxastrobin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2427 RETENTION_TIME: 7.061409
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2515 342.04449 118004.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2516 367.03973 216560.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2517 383.03424 104628.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2518
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2519 SCANNUMBER: 3979
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2520 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2521 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2522 FORMULA: C17H16NO2F3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2523 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2524 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2525 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2526 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2527 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2528 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2529 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2530 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2531 COMPOUND_NAME: Flutolanil
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2532 RETENTION_TIME: 6.193638
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2533 PRECURSOR_MZ: 324.1214
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2534 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2535 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2536 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2537 NUM PEAKS: 12
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2538 111.04436 4020810.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2542 166.06538 168609.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2543 173.02094 3306207.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2544 194.0601 203214.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2545 214.06641 383897.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2546 222.05511 217155.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2547 242.05533 161728.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2548 242.06139 15929322.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2549 262.06796 878870.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2550
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2551 SCANNUMBER: 3970
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2552 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2553 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2554 FORMULA: C17H19NO4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2555 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2556 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2557 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2558 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2559 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2560 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2561 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2562 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2563 COMPOUND_NAME: Furalaxyl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2564 RETENTION_TIME: 6.193638
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2565 PRECURSOR_MZ: 302.1392
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2566 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2567 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2568 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2569 NUM PEAKS: 1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2570 95.01299 22120298.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2571
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2572 SCANNUMBER: 2732
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2573 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2574 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2575 FORMULA: C14H14N2OCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2576 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2577 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2578 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2579 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2580 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2581 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2582 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2583 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2584 COMPOUND_NAME: Imazalil
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2585 RETENTION_TIME: 3.913752
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2586 PRECURSOR_MZ: 297.0566
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2587 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2588 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2589 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2590 NUM PEAKS: 17
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2591 102.04659 83349.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2608
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2609 SCANNUMBER: 2109
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2610 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2611 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2612 FORMULA: C9H10N5O2Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2613 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2614 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2615 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2616 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2617 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2618 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2619 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2620 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2621 COMPOUND_NAME: Imidacloprid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2622 RETENTION_TIME: 3.079668
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2623 PRECURSOR_MZ: 256.0602
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2624 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2625 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2626 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2627 NUM PEAKS: 36
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2661 208.05171 91411.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2662 209.05724 1316587.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2663 209.05885 3531093.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2664
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2665 SCANNUMBER: 7168
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2666 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2667 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2668 FORMULA: C23H22NO4Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2669 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2670 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2671 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2672 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2673 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2674 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2675 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2676 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2677 COMPOUND_NAME: Mandipropamid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2678 RETENTION_TIME: 6.964275
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2679 PRECURSOR_MZ: 412.1314
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2680 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2681 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2682 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2683 NUM PEAKS: 5
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2685 328.11053 16472820.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2686 356.10495 7175862.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2687 412.04471 215694.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2688 412.13226 2828841.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2689
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2690 SCANNUMBER: 7089
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2691 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2692 SPECTRUMTYPE: Centroid
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2695 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2697 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2698 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2699 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2811
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2812 SCANNUMBER: 1471
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2813 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2814 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2815 FORMULA: C7H14N4O3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2816 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2817 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2818 SMILES: CN=C(NN(=O)=O)NCC1COCC1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2819 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2820 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2821 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2822 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2823 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2824 COMPOUND_NAME: Dinotefuran
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2825 RETENTION_TIME: 1.502809
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2826 PRECURSOR_MZ: 203.1141
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2827 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2828 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2829 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2830 NUM PEAKS: 13
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2843 203.11415 399504.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2844
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2845 SCANNUMBER: 8648
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2846 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2847 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2848 FORMULA: C24H16N4O2F6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2849 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2850 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e 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
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2852 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2853 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2854 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2855 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2856 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2857 COMPOUND_NAME: Metaflumizone
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2858 RETENTION_TIME: 7.19479
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2859 PRECURSOR_MZ: 507.1251
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2860 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2861 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2862 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2863 NUM PEAKS: 33
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2897
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2898 SCANNUMBER: 3592
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2899 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2900 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2901 FORMULA: C15H21NO4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2902 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2903 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2904 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2905 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2906 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2907 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2908 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2909 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2910 COMPOUND_NAME: Metalaxyl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2911 RETENTION_TIME: 5.550616
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2912 PRECURSOR_MZ: 280.1547
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2913 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2914 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2915 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2916 NUM PEAKS: 24
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2922 120.081 86040.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2924 130.06528 459915.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2930 145.08881 2412390.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2936 160.11201 8036024.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2938 164.10716 139534.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2939 192.13879 614235.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2940 220.13348 136200.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2941
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2942 SCANNUMBER: 4181
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2943 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2944 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2945 FORMULA: C15H17N4Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2946 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2947 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2948 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2949 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2950 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2951 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2952 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2953 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2954 COMPOUND_NAME: Myclobutanil
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2955 RETENTION_TIME: 6.259462
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2956 PRECURSOR_MZ: 289.1221
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2957 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2958 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2959 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2960 NUM PEAKS: 18
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2961 89.03882 46919.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2962 98.99973 29039.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2963 115.05431 84807.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2966 125.01533 2894088.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2967 128.04958 45144.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2968 130.06528 66651.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2969 137.01562 42490.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2970 149.01559 47429.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2971 150.0106 90969.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2972 151.03107 531808.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2973 153.06992 32172.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2974 164.02652 222253.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2975 166.04185 38601.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2976 168.09337 31175.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2977 175.03131 41390.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2978 178.04208 93247.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2979
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2980 SCANNUMBER: 3029
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2981 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2982 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2983 FORMULA: C14H18N2O4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2984 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2985 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2986 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2987 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2988 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2989 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2990 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2991 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2992 COMPOUND_NAME: Oxadixyl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2993 RETENTION_TIME: 4.402048
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2994 PRECURSOR_MZ: 279.1344
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2995 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2996 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2997 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	2998 NUM PEAKS: 7
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3006
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3007 SCANNUMBER: 7968
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3008 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3009 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3010 FORMULA: C15H16N3O2Cl3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3011 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3012 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3013 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3014 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3015 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3016 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3017 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3018 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3019 COMPOUND_NAME: Prochloraz
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3020 RETENTION_TIME: 7.089308
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3021 PRECURSOR_MZ: 376.0388
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3022 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3023 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3024 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3025 NUM PEAKS: 3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3026 265.95453 2776909.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3029
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3030 SCANNUMBER: 2214
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3031 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3032 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3033 FORMULA: C10H19N5O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3034 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3035 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3036 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3037 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3038 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3039 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3040 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3041 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3042 COMPOUND_NAME: Prometon_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3043 RETENTION_TIME: 3.185351
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3044 PRECURSOR_MZ: 226.1667
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3045 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3046 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3047 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3048 NUM PEAKS: 16
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3061 142.07253 19868644.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3063 170.10394 12296676.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3064 184.11964 1858746.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3065
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3066 SCANNUMBER: 2376
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3067 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3068 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3069 FORMULA: C10H19N5O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3070 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3071 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3072 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3073 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3074 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3075 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3076 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3077 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3078 COMPOUND_NAME: Prometon_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3079 RETENTION_TIME: 3.288845
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3080 PRECURSOR_MZ: 226.1663
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3081 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3082 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3083 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3084 NUM PEAKS: 22
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3085 85.05116 203704.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3087 86.03511 4360152.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3088 96.05572 3992152.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3107
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3108 SCANNUMBER: 1328
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3109 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3110 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3111 FORMULA: C10H11N5O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3112 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3113 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3114 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3115 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3116 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3117 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3118 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3119 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3120 COMPOUND_NAME: Pymetrozine
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3121 RETENTION_TIME: 1.373368
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3122 PRECURSOR_MZ: 218.1044
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3123 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3124 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3125 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3126 NUM PEAKS: 2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3127 96.04461 383408.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3128 105.04506 15166273.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3129
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3130 SCANNUMBER: 3243
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3131 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3132 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3133 FORMULA: C13H15NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3134 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3135 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3136 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3137 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3138 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3139 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3140 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3141 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3142 COMPOUND_NAME: Pyracarbolid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3143 RETENTION_TIME: 4.72542
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3144 PRECURSOR_MZ: 218.1182
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3145 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3146 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3147 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3148 NUM PEAKS: 8
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3149 92.04956 222486.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3150 95.04928 559755.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3151 97.02871 2882447.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3152 97.06489 514552.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3153 105.04477 279492.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3154 107.04936 2653095.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3155 115.03907 949155.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3156 125.05998 14590636.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3157
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3158 SCANNUMBER: 3684
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3159 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3160 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3161 FORMULA: C12H13N3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3162 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3163 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3164 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3165 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3166 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3167 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3168 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3169 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3170 COMPOUND_NAME: Pyrimethanil
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3171 RETENTION_TIME: 5.598423
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3172 PRECURSOR_MZ: 200.1186
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3173 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3174 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3175 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3176 NUM PEAKS: 43
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3177 91.05441 269141.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3178 92.0498 1006183.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3179 93.0575 798806.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3180 95.04928 864623.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3181 105.04505 538940.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3182 107.06065 6806452.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3183 115.05464 651194.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3184 116.0497 189558.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3185 117.0574 297627.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3186 118.05279 470418.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3187 118.06519 941436.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3188 119.06059 1862863.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3220
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3221 SCANNUMBER: 10159
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3222 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3223 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3224 FORMULA: C20H19NO3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3225 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3226 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3227 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3228 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3229 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3230 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3231 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3232 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3233 COMPOUND_NAME: Pyriproxyfen
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3234 RETENTION_TIME: 7.483148
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3235 PRECURSOR_MZ: 322.1441
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3236 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3237 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3238 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3239 NUM PEAKS: 21
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3240 91.05465 1995486.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3241 95.04953 2794273.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3242 96.04461 57722984.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3243 105.04505 1487815.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3244 105.0702 2138528.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3245 115.05464 2166874.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3246 119.04944 13154060.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3247 128.06239 2789226.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3248 129.07021 18069414.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3249 133.06531 2250340.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3250 134.07285 5007071.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3251 141.07028 4802710.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3252 153.07043 578116.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3253 155.06065 601649.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3254 157.06509 3489445.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3255 170.07298 834102.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3256 181.06517 682957.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3257 185.05991 13867037.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3258 186.06801 602621.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3259 194.07315 653455.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3260 199.07576 804230.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3261
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3262 SCANNUMBER: 5448
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3263 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3264 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3265 FORMULA: C17H19NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3266 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3267 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3268 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3271 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3272 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3273 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3274 COMPOUND_NAME: Mepronil
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3275 RETENTION_TIME: 6.63015
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3276 PRECURSOR_MZ: 270.1492
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3277 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3278 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3279 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3280 NUM PEAKS: 8
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3281 91.05465 4818532.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3282 107.04936 268915.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3283 108.0449 232011.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3284 109.0651 1528311.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3285 111.04436 177960.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3286 119.04979 16405699.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3287 119.0592 353581.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3289
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3290 SCANNUMBER: 3190
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3291 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3292 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3293 FORMULA: C18H35NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3294 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3295 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3296 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3297 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3298 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3299 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3300 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3301 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3302 COMPOUND_NAME: Spiroxamine_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3303 RETENTION_TIME: 4.628222
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3304 PRECURSOR_MZ: 298.2747
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3305 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3306 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3307 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3308 NUM PEAKS: 4
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3313
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3314 SCANNUMBER: 8797
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3315 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3316 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3317 FORMULA: C18H24N3OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3318 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3319 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3320 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3321 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3322 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3323 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3324 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3325 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3326 COMPOUND_NAME: Tebufenpyrad
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3327 RETENTION_TIME: 7.223254
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3328 PRECURSOR_MZ: 334.1692
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3329 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3330 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3331 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3332 NUM PEAKS: 17
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3349 334.16821 933979.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3350
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3351 SCANNUMBER: 2214
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3352 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3353 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3354 FORMULA: C10H19N5O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3355 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3356 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3357 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3358 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3359 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3360 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3361 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3362 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3363 COMPOUND_NAME: Terbumeton_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3364 RETENTION_TIME: 3.185351
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3365 PRECURSOR_MZ: 226.1667
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3366 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3367 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3368 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3369 NUM PEAKS: 16
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3385 184.11964 1858746.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3386
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3387 SCANNUMBER: 2376
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3388 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3389 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3390 FORMULA: C10H19N5O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3391 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3392 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3393 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3394 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3395 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3396 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3397 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3398 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3399 COMPOUND_NAME: Terbumeton_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3400 RETENTION_TIME: 3.288845
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3401 PRECURSOR_MZ: 226.1663
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3402 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3403 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3404 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3405 NUM PEAKS: 22
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3420 129.0112 167032.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3427 226.16615 243943.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3428
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3429 SCANNUMBER: 4753
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3430 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3431 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3432 FORMULA: C14H16N3O2Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3433 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3434 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3435 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3436 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3437 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3438 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3439 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3440 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3441 COMPOUND_NAME: Triadimefon
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3442 RETENTION_TIME: 6.495691
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3443 PRECURSOR_MZ: 294.101
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3444 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3445 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3446 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3447 NUM PEAKS: 34
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3472 141.0105 4051184.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3482
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3483 SCANNUMBER: 8085
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3484 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3485 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3486 FORMULA: C20H19N2O4F3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3487 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3488 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3489 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3490 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3491 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3492 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3493 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3494 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3495 COMPOUND_NAME: Trifloxystrobin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3496 RETENTION_TIME: 7.117416
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3497 PRECURSOR_MZ: 409.1378
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3498 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3499 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3500 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3501 NUM PEAKS: 20
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3502 89.03905 311273.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3503 91.05465 552137.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3506 117.05774 1059431.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3507 118.06553 996646.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3508 119.04944 261371.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3509 130.06567 752094.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3510 131.07352 3968814.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3511 132.04504 549533.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3512 132.08128 1313192.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3513 134.06033 476020.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3514 145.02644 9201794.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3516 147.06844 435652.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3520 186.05302 16153518.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3521 206.08214 362046.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3522
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3523 SCANNUMBER: 7511
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3524 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3525 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3526 FORMULA: C14H16Cl3NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3527 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3528 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3529 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3530 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3531 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3532 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3533 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3534 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3535 COMPOUND_NAME: Zoxamide
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3536 RETENTION_TIME: 7.042906
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3537 PRECURSOR_MZ: 336.0327
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3538 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3539 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3540 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3541 NUM PEAKS: 7
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3542 122.99966 189624.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3543 158.97681 2350836.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3544 160.99211 84080.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3545 176.98717 132424.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3546 186.97179 7551578.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3547 186.98138 1310863.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3548 203.99802 105210.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3549
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3550 SCANNUMBER: 10658
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3551 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3552 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3553 FORMULA: C15H8NOCl2F
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3554 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3555 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3556 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3557 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3558 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3559 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3560 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3561 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3562 COMPOUND_NAME: Quinoxyfen
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3563 RETENTION_TIME: 7.693292
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3564 PRECURSOR_MZ: 308.0046
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3565 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3566 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3567 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3568 NUM PEAKS: 28
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3569 113.04024 951160.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3570 123.00003 519051.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3571 123.03591 2234640.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3572 133.05254 505534.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3573 150.01109 1173838.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3574 162.01112 4388227.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3575 168.02145 1536952.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3576 178.01723 957090.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3577 183.97221 586345.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3578 184.97952 1042789.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3579 196.98022 34758736.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3580 209.06372 991608.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3581 210.0717 743797.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3582 212.97452 543051.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3603 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3605 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3607 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3735
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3736 SCANNUMBER: 2214
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3737 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3738 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3739 FORMULA: C10H19N5O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3740 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3741 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3742 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3743 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3744 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3745 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3746 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3747 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3748 COMPOUND_NAME: Secbumeton_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3749 RETENTION_TIME: 3.185351
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3750 PRECURSOR_MZ: 226.1667
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3751 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3752 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3753 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3754 NUM PEAKS: 16
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3771
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3772 SCANNUMBER: 2376
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3773 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3774 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3775 FORMULA: C10H19N5O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3776 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3777 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3778 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3779 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3780 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3781 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3782 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3783 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3784 COMPOUND_NAME: Secbumeton_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3785 RETENTION_TIME: 3.288845
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3786 PRECURSOR_MZ: 226.1663
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3787 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3788 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3789 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3790 NUM PEAKS: 22
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3814 SCANNUMBER: 3100
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3815 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3816 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3817 FORMULA: C18H35NO2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3818 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3819 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3820 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3821 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3822 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3823 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3824 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3825 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3826 COMPOUND_NAME: Spiroxamine_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3827 RETENTION_TIME: 4.508498
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3828 PRECURSOR_MZ: 298.2746
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3829 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3830 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3831 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3832 NUM PEAKS: 4
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3837
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3838 SCANNUMBER: 6504
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3839 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3840 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3841 FORMULA: C8H6N2OS2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3842 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3843 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3844 SMILES: CSC(=O)c1cccc2c1snn2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3845 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3846 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3847 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3848 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3849 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3850 COMPOUND_NAME: Acibenzolar-S-methyl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3851 RETENTION_TIME: 7.209623
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3852 PRECURSOR_MZ: 210.9997
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3853 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3854 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3855 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3856 NUM PEAKS: 19
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3876
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3877 SCANNUMBER: 3267
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3878 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3879 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3880 FORMULA: C13H24N4O3S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3881 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3882 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3883 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3884 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3885 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3886 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3887 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3888 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3889 COMPOUND_NAME: Bupirimate
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3890 RETENTION_TIME: 6.076324
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3891 PRECURSOR_MZ: 317.1649
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3892 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3893 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3894 INSTRUMENT_TYPE: LC-ESI-Orbitrap
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3951
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3952 SCANNUMBER: 5627
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3953 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3954 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3955 FORMULA: C16H23N3OS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3956 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3957 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3958 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3959 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3960 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3961 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3962 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3963 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3964 COMPOUND_NAME: Buprofezin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3965 RETENTION_TIME: 7.028851
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3966 PRECURSOR_MZ: 306.1638
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3967 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3968 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3969 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3970 NUM PEAKS: 7
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3977 208.05412 1036458.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3978
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3979 SCANNUMBER: 2650
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3980 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3981 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3982 FORMULA: C12H13NO2S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3983 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3984 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3985 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3986 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3987 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3988 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3989 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3990 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3991 COMPOUND_NAME: Carboxin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3992 RETENTION_TIME: 5.514598
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3994 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	3995 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4020 SCANNUMBER: 4128
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4023 FORMULA: C17H26NO3ClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4024 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4025 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4026 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4027 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4028 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4029 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4030 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4031 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4032 COMPOUND_NAME: Clethodim_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4033 RETENTION_TIME: 6.687163
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4034 PRECURSOR_MZ: 360.1401
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4035 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4036 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4037 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4038 NUM PEAKS: 93
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4133 SCANNUMBER: 7016
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4136 FORMULA: C17H26NO3ClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4137 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4138 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4139 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4140 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4141 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4142 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4143 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4144 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4145 COMPOUND_NAME: Clethodim_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4146 RETENTION_TIME: 7.277172
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4148 ADDUCT: [M+H]+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4220
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4221 SCANNUMBER: 1358
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4222 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4223 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4224 FORMULA: C6H8N5O2ClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4225 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4226 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4227 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4228 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4229 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4230 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4231 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4232 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4233 COMPOUND_NAME: Clothianidin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4234 RETENTION_TIME: 2.767634
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4235 PRECURSOR_MZ: 250.0162
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4236 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4237 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4238 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4239 NUM PEAKS: 12
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4240 113.01702 68898.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4245 172.98125 33776.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4251 250.01668 782407.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4252
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4253 SCANNUMBER: 4651
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4254 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4255 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4256 FORMULA: C13H13N4O2ClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4257 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4258 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4259 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4260 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4261 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4262 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4263 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4264 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4265 COMPOUND_NAME: Cyazofamid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4266 RETENTION_TIME: 6.824718
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4267 PRECURSOR_MZ: 325.0526
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4268 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4269 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4270 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4271 NUM PEAKS: 14
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4276 225.11369 156877.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4277 226.12143 91884.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4278 233.06017 429313.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4279 251.07034 448093.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4280 251.10664 310661.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4281 261.09036 1553497.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4282 279.10236 522333.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4286
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4287 SCANNUMBER: 2873
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4288 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4289 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4290 FORMULA: C13H9N4OCl2F3S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4291 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4292 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4293 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4294 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4295 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4296 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4297 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4298 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4299 COMPOUND_NAME: Ethiprole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4300 RETENTION_TIME: 5.828761
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4301 PRECURSOR_MZ: 396.991
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4302 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4303 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4304 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4305 NUM PEAKS: 11
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4306 212.94865 522963.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4317
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4318 SCANNUMBER: 3176
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4319 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4320 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4321 FORMULA: C13H18O5S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4322 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4323 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4324 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4325 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4326 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4327 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4328 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4329 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4330 COMPOUND_NAME: Ethofumesate
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4331 RETENTION_TIME: 6.01901
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4332 PRECURSOR_MZ: 287.0957
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4333 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4334 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4335 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4336 NUM PEAKS: 10
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4337 121.06523 2086509.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4341 163.07561 321436.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4342 179.07047 102226.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4346 287.09497 1000737.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4347
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4348 SCANNUMBER: 4022
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4349 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4350 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4351 FORMULA: C17H17N3OS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4352 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4353 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4354 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4355 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4356 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4357 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4358 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4359 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4360 COMPOUND_NAME: Fenamidone
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4361 RETENTION_TIME: 6.626915
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4362 PRECURSOR_MZ: 312.1172
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4363 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4364 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4365 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4366 NUM PEAKS: 23
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4367 92.0498 32114948.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4370 118.05279 339058.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4371 120.081 4707760.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4372 124.07605 564026.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4373 133.06364 333596.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4376 150.02492 4123380.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4377 158.07153 1565433.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4378 161.07108 557286.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4379 165.04834 2679578.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4391 SCANNUMBER: 3428
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4395 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4396 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4397 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4398 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4399 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4400 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4401 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4402 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4403 COMPOUND_NAME: Fipronil
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4404 RETENTION_TIME: 6.367518
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4405 PRECURSOR_MZ: 436.9474
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4406 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4407 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4408 INSTRUMENT_TYPE: LC-ESI-Orbitrap
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4455 SCANNUMBER: 3663
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4456 IONMODE: Positive
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4459 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4460 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4461 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4462 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4463 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4464 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4465 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4466 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4467 COMPOUND_NAME: Flufenacet
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4468 RETENTION_TIME: 6.476889
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4469 PRECURSOR_MZ: 364.0744
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4470 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4471 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4472 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4473 NUM PEAKS: 5
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4479
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4480 SCANNUMBER: 7986
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4481 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4482 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4483 FORMULA: C17H21N2O2ClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4484 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4485 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4486 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4487 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4488 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4489 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4490 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4491 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4492 COMPOUND_NAME: Hexythiazox
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4493 RETENTION_TIME: 7.46046
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4494 PRECURSOR_MZ: 353.1096
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4495 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4496 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4497 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4498 NUM PEAKS: 18
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4499 115.0543 1419536.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4500 116.06212 1728574.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4501 117.05739 141175.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4502 125.01533 77703.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4503 132.08089 464129.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4504 133.06488 142255.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4505 133.08878 1059309.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4506 140.04968 116606.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4507 141.05769 118308.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4508 143.06068 285902.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4509 151.03107 3098662.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4510 153.03435 252766.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4511 159.06828 444319.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4512 168.05769 6763262.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4513 176.02615 779438.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4514 194.03688 1165217.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4515 210.01369 101590.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4516 228.02509 203533.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4517
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4518 SCANNUMBER: 6090
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4519 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4520 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4521 FORMULA: C16H14N2O2S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4522 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4523 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4524 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4525 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4526 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4527 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4528 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4529 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4530 COMPOUND_NAME: Mefenacet
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4531 RETENTION_TIME: 7.143147
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4532 PRECURSOR_MZ: 299.0857
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4533 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4534 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4535 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4536 NUM PEAKS: 10
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4537 91.05441 4904942.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4538 93.07003 396728.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4539 95.04928 309109.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4540 103.05439 240325.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4541 105.05748 315163.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4542 118.06553 748880.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4543 120.081 20302168.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4544 136.02161 2145909.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4545 148.0759 2833957.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4546 152.01669 272045.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4547
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4548 SCANNUMBER: 1880
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4549 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4550 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4551 FORMULA: C14H13NO7S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4552 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4553 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4554 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4555 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4556 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4557 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4558 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4559 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4560 COMPOUND_NAME: Mesotrione
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4561 RETENTION_TIME: 4.438974
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4562 PRECURSOR_MZ: 340.0492
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4563 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4564 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4565 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4566 NUM PEAKS: 21
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4567 92.0498 20384.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4568 94.02896 22521.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4569 95.01298 42541.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4570 104.01339 1414098.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4571 107.0131 68271.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4572 108.02079 22960.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4573 111.04435 27776.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4574 119.01284 29585.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4575 122.02398 38301.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4576 136.03949 15704.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4577 154.97983 175640.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4578 166.0137 179306.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4579 170.00336 47194.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4589 SCANNUMBER: 2365
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4590 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4591 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4592 FORMULA: C11H21N5OS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4593 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4594 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4595 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4596 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4597 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4598 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4599 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4600 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4601 COMPOUND_NAME: Methoprotryne
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4602 RETENTION_TIME: 4.953537
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4603 PRECURSOR_MZ: 272.1545
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4604 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4605 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4606 INSTRUMENT_TYPE: LC-ESI-Orbitrap
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4624 SCANNUMBER: 1932
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4627 FORMULA: C8H14N4OS
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4629 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4630 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4631 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4632 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4633 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4634 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4635 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4636 COMPOUND_NAME: Metribuzin
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4637 RETENTION_TIME: 4.458099
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4638 PRECURSOR_MZ: 215.0965
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4639 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4640 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4641 INSTRUMENT_TYPE: LC-ESI-Orbitrap
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4706 SCANNUMBER: 2407
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4707 IONMODE: Positive
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4709 FORMULA: C10H19N5S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4710 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4711 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4712 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4713 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4714 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4715 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4716 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4717 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4718 COMPOUND_NAME: Prometryne
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4719 RETENTION_TIME: 4.990861
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4720 PRECURSOR_MZ: 242.1439
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4721 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4722 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4723 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4724 NUM PEAKS: 15
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4741 SCANNUMBER: 8415
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4742 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4743 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4744 FORMULA: C19H25N2OClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4745 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4746 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4747 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4748 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4749 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4750 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4751 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4752 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4753 COMPOUND_NAME: Pyridaben
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4754 RETENTION_TIME: 7.556859
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4755 PRECURSOR_MZ: 365.1459
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4756 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4757 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4758 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4759 NUM PEAKS: 3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4760 147.11726 1746679.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4763
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4764 SCANNUMBER: 1608
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4765 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4766 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4767 FORMULA: C8H15N5S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4768 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4769 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4770 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4771 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4772 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4773 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4774 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4775 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4776 COMPOUND_NAME: Simetryn
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4777 RETENTION_TIME: 3.75983
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4778 PRECURSOR_MZ: 214.1124
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4779 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4780 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4796 SCANNUMBER: 2110
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4799 FORMULA: C11H10N4O3Cl2F2S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4800 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4801 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4802 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4803 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4804 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4805 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4806 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4807 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4808 COMPOUND_NAME: Sulfentrazone
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4809 RETENTION_TIME: 4.825635
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4810 PRECURSOR_MZ: 386.99
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4811 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4812 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4813 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4814 NUM PEAKS: 48
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4864 SCANNUMBER: 2407
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4865 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4866 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4867 FORMULA: C10H19N5S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4868 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4869 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4870 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4871 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4872 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4873 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4874 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4875 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4876 COMPOUND_NAME: Terbutryn
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4877 RETENTION_TIME: 4.990861
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4878 PRECURSOR_MZ: 242.1439
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4879 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4880 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4881 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4882 NUM PEAKS: 15
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4898
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4899 SCANNUMBER: 1232
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4900 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4901 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4902 FORMULA: C10H7N3S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4903 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4904 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4905 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4906 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4907 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4908 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4909 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4910 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4911 COMPOUND_NAME: Thiabendazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4912 RETENTION_TIME: 2.44406
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4913 PRECURSOR_MZ: 202.0437
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4914 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4915 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4916 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4917 NUM PEAKS: 7
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4918 92.0498 482307.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4924 202.04396 3731232.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4925
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4926 SCANNUMBER: 1685
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4927 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4928 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4929 FORMULA: C10H9N4ClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4930 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4931 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4932 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4933 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4934 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4935 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4936 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4937 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4938 COMPOUND_NAME: Thiacloprid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4939 RETENTION_TIME: 4.159843
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4940 PRECURSOR_MZ: 253.0315
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4941 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4942 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4943 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4944 NUM PEAKS: 6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4945 90.03403 1177314.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4946 91.04182 256154.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4947 98.99973 1052050.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4948 108.0446 146293.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4949 126.01085 11655971.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4950 144.02113 633179.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4951
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4952 SCANNUMBER: 1108
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4953 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4954 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4955 FORMULA: C8H10N5O3ClS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4956 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4957 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4958 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4959 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4960 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4961 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4962 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4963 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4964 COMPOUND_NAME: Thiamethoxam
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4965 RETENTION_TIME: 2.35524
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4966 PRECURSOR_MZ: 292.0273
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4967 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4968 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4969 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4970 NUM PEAKS: 10
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4971 131.96729 856494.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4972 174.9729 61417.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4973 180.04681 65222.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4974 181.0547 129376.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4975 210.05699 499700.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4982 SCANNUMBER: 2638
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4983 IONMODE: Positive
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4985 FORMULA: C9H7N3S
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4986 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4987 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4988 SMILES: Cc1cccc2c1n1cnnc1s2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4989 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4990 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4991 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4992 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4993 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4994 COMPOUND_NAME: Tricyclazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4995 RETENTION_TIME: 5.514598
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4997 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	4998 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5012 SCANNUMBER: 2801
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5013 IONMODE: Positive
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5015 FORMULA: C17H12N2OCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5016 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5017 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5018 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5019 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5020 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5021 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5022 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5023 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5024 COMPOUND_NAME: Fenarimol
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5025 RETENTION_TIME: 6.876775
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5026 PRECURSOR_MZ: 331.0412
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5027 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5028 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5029 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5030 NUM PEAKS: 60
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5090 279.06857 114232.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5091
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5092 SCANNUMBER: 3202
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5093 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5094 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5095 FORMULA: C19H17N4Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5096 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5097 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5098 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5099 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5100 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5101 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5102 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5103 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5104 COMPOUND_NAME: Fenbuconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5105 RETENTION_TIME: 7.045859
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5106 PRECURSOR_MZ: 337.1223
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5107 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5108 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5109 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5110 NUM PEAKS: 9
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5116 129.07021 1018109.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5117 139.0309 716816.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5118 155.06064 335216.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5119 163.0309 736285.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5120
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5121 SCANNUMBER: 3422
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5122 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5123 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5124 FORMULA: C16H8N5OCl2F
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5125 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5126 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5127 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5128 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5129 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5130 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5131 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5132 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5133 COMPOUND_NAME: Fluquinconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5134 RETENTION_TIME: 7.093534
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5135 PRECURSOR_MZ: 376.0173
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5136 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5137 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5138 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5139 NUM PEAKS: 22
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5140 108.02471 848273.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5141 123.99523 983397.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5142 126.03514 85852.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5143 158.97679 294325.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5144 163.03033 1264696.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5145 181.04097 120423.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5146 195.05714 105799.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5147 243.01224 134077.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5148 244.01985 783328.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5149 251.97818 94741.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5150 272.01474 3792436.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5151 278.98978 1325774.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5152 279.97287 100928.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5153 287.02576 171499.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5154 306.98392 7738432.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5155 313.02911 148350.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5156 314.03632 96754.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5157 324.99539 291864.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5158 331.97888 91552.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5159 339.01056 449848.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5160 349.00613 731296.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5161 349.98984 271485.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5162
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5163 SCANNUMBER: 1408
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5164 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5165 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5166 FORMULA: C16H13N3OF2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5167 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5168 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5169 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5170 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5171 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5172 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5173 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5174 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5175 COMPOUND_NAME: Flutriafol
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5176 RETENTION_TIME: 5.240544
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5177 PRECURSOR_MZ: 302.1111
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5178 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5179 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5180 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5181 NUM PEAKS: 11
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5186 123.03517 2231147.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5187 137.03973 187845.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5190 195.06081 577107.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5192 215.0668 353163.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5193
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5194 SCANNUMBER: 1202
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5195 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5196 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5197 FORMULA: C11H8N2O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5198 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5199 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5200 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5201 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5202 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5203 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5204 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5205 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5206 COMPOUND_NAME: Fuberidazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5207 RETENTION_TIME: 2.456748
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5208 PRECURSOR_MZ: 185.0715
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5209 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5210 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5211 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5212 NUM PEAKS: 15
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5213 92.0498 2714348.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5217 128.04956 416024.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5219 129.05762 1711080.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5220 130.06528 5627980.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5221 131.06062 2006719.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5223 143.06068 769483.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5227 185.0714 6790632.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5228
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5229 SCANNUMBER: 1619
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5230 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5231 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5232 FORMULA: C15H18N3OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5233 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5234 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5235 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5236 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5237 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5238 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5239 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5240 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5241 COMPOUND_NAME: Cyproconazole_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5242 RETENTION_TIME: 6.138374
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5243 PRECURSOR_MZ: 292.122
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5244 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5245 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5246 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5247 NUM PEAKS: 4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5248 89.03882 111896.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5249 125.01532 6537308.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5250 138.99483 329090.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5251 139.00581 166501.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5252
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5253 SCANNUMBER: 1786
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5254 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5255 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5256 FORMULA: C15H18N3OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5257 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5258 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5259 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5260 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5261 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5262 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5263 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5264 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5265 COMPOUND_NAME: Cyproconazole_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5266 RETENTION_TIME: 6.36811
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5267 PRECURSOR_MZ: 292.1225
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5268 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5269 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5270 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5271 NUM PEAKS: 4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5272 89.03882 144933.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5273 125.01532 8553550.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5274 138.99483 403028.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5277 SCANNUMBER: 2657
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5278 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5279 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5280 FORMULA: C15H19N3OCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5281 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5282 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5283 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5284 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5285 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5286 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5287 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5288 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5289 COMPOUND_NAME: Diclobutrazol
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5290 RETENTION_TIME: 6.830443
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5291 PRECURSOR_MZ: 328.0983
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5292 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5293 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5294 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5295 NUM PEAKS: 11
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5307
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5308 SCANNUMBER: 4342
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5309 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5310 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5311 FORMULA: C19H17N3O3Cl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5312 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5313 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5314 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5315 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5316 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5317 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5318 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5319 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5320 COMPOUND_NAME: Difenoconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5321 RETENTION_TIME: 7.351549
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5322 PRECURSOR_MZ: 406.0727
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5323 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5324 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5325 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5326 NUM PEAKS: 13
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5327 129.07021 341601.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5334 188.03915 3752594.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5338 251.0031 32513990.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5339 264.98291 3756956.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5340
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5341 SCANNUMBER: 3119
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5342 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5343 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5344 FORMULA: C15H17N3OCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5345 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5346 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5347 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5348 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5349 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5350 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5351 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5352 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5353 COMPOUND_NAME: Diniconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5354 RETENTION_TIME: 6.999194
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5355 PRECURSOR_MZ: 326.0832
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5356 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5357 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5358 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5359 NUM PEAKS: 52
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5360 87.0807 115189.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5362 123.00002 65949.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5366 143.08594 53581.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5367 145.0649 52799.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5368 148.08749 54447.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5369 150.02344 61653.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5370 153.07042 57255.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5371 154.07816 75541.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5412
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5413 SCANNUMBER: 3124
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5414 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5415 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5416 FORMULA: C17H13N3OClF
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5417 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5418 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5419 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5420 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5421 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5422 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5423 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5424 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5425 COMPOUND_NAME: Epoxiconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5426 RETENTION_TIME: 6.999194
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5427 PRECURSOR_MZ: 330.0806
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5428 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5429 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5430 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5431 NUM PEAKS: 12
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5432 91.05464 783917.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5435 113.04023 604178.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5436 119.04978 1591248.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5437 121.04307 362239.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5438 121.04521 27069946.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5439 123.02455 5942544.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5440 123.03517 2030362.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5441 129.04501 7068444.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5442 138.99483 468356.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5443 141.01048 1219612.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5444
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5445 SCANNUMBER: 2581
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5446 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5447 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5448 FORMULA: C14H15N3O2Cl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5449 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5450 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5451 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5452 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5453 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5454 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5455 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5456 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5457 COMPOUND_NAME: Etaconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5458 RETENTION_TIME: 6.802904
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5459 PRECURSOR_MZ: 328.0626
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5460 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5461 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5462 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5463 NUM PEAKS: 10
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5464 122.99965 480348.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5466 137.01562 455760.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5467 158.97626 39434140.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5468 164.03891 610435.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5469 172.9556 1469728.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5470 172.99223 970218.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5471 174.97166 597883.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5472 190.96622 527039.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5473 199.00793 567443.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5474
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5475 SCANNUMBER: 1043
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5476 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5477 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5478 FORMULA: C11H19N3O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5479 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5480 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5481 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5482 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5483 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5484 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5485 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5486 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5487 COMPOUND_NAME: Ethirimol
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5488 RETENTION_TIME: 2.246086
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5489 PRECURSOR_MZ: 210.1608
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5490 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5491 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5492 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5493 NUM PEAKS: 32
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5500 105.07019 215544.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5507 112.11221 261603.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5518 150.10286 1256237.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5525 210.15997 2414378.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5526
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5527 SCANNUMBER: 2543
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5528 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5529 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5530 FORMULA: C14H17N3OCl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5531 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5532 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5533 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5534 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5535 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5536 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5537 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5538 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5539 COMPOUND_NAME: Hexaconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5540 RETENTION_TIME: 6.793731
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5541 PRECURSOR_MZ: 314.0833
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5542 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5543 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5544 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5545 NUM PEAKS: 16
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5546 115.05463 149487.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5551 139.00626 458884.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5552 146.97656 554008.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5553 149.01559 424582.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5554 150.02344 1003022.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5556 158.97679 7629371.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5557 170.97658 545468.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5558 172.99223 112377.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5559 174.97166 740773.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5560 184.99236 690533.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5561 188.98734 151249.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5562
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5563 SCANNUMBER: 3476
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5564 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5565 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5566 FORMULA: C18H24N3OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5567 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5568 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5569 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5570 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5571 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5572 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5573 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5574 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5575 COMPOUND_NAME: Ipconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5576 RETENTION_TIME: 7.112235
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5577 PRECURSOR_MZ: 334.1694
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5578 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5579 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5580 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5581 NUM PEAKS: 18
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5599 191.06258 291856.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5600
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5601 SCANNUMBER: 3161
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5602 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5603 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5604 FORMULA: C17H22N3OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5605 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5606 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5607 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5608 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5609 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5610 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5611 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5612 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5613 COMPOUND_NAME: Metconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5614 RETENTION_TIME: 7.017605
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5615 PRECURSOR_MZ: 320.1538
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5616 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5617 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5618 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5619 NUM PEAKS: 13
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5627 151.03107 437268.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5628 156.09335 90865.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5632 191.06258 194319.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5633
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5634 SCANNUMBER: 1883
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5635 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5636 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5637 FORMULA: C17H12N2OClF
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5638 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5639 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5640 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5641 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5642 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5643 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5644 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5645 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5646 COMPOUND_NAME: Nuarimol
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5647 RETENTION_TIME: 6.452959
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5648 PRECURSOR_MZ: 315.0705
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5649 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5650 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5651 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5652 NUM PEAKS: 59
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5661 140.02657 19300.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5665 155.06064 19858.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5667 157.07619 36997.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5668 164.0265 18608.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5669 175.06673 21221.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5670 176.05058 19072.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5711 270.04846 16960.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5712
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5713 SCANNUMBER: 1764
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5714 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5715 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5716 FORMULA: C15H20N3OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5717 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5718 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5719 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5720 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5721 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5722 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5723 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5724 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5725 COMPOUND_NAME: Paclobutrazol
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5726 RETENTION_TIME: 6.358851
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5727 PRECURSOR_MZ: 294.1362
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5728 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5729 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5730 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5731 NUM PEAKS: 22
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5732 87.0807 394679.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5733 89.03882 144548.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5734 91.05441 100589.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5735 95.04928 72012.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5736 102.04659 60868.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5737 103.05439 512214.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5738 113.0154 191248.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5739 115.0543 61507.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5740 116.06211 61856.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5741 125.01532 6037114.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5742 126.01882 85997.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5743 127.01254 4019573.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5744 129.07021 226797.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5745 130.078 602958.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5746 137.01562 331896.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5747 139.0309 780894.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5748 140.99162 137268.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5749 141.00285 65567.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5750 141.01048 108664.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5751 151.03107 202825.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5752 165.04663 986782.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5753 173.50876 86407.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5754
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5755 SCANNUMBER: 2459
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5756 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5757 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5758 FORMULA: C13H15N3Cl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5759 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5760 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5761 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5762 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5763 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5764 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5765 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5766 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5767 COMPOUND_NAME: Penconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5768 RETENTION_TIME: 6.747501
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5769 PRECURSOR_MZ: 284.0724
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5770 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5771 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5772 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5773 NUM PEAKS: 5
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5778 172.99223 3885430.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5780 SCANNUMBER: 3131
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5781 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5782 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5783 FORMULA: C15H17N3O2Cl2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5784 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5785 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5786 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5787 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5788 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5789 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5790 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5791 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5792 COMPOUND_NAME: Propiconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5793 RETENTION_TIME: 6.999194
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5794 PRECURSOR_MZ: 342.0777
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5795 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5796 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5797 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5798 NUM PEAKS: 5
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5804
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5805 SCANNUMBER: 2993
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5806 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5807 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5808 FORMULA: C16H22N3OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5809 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5810 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5811 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5812 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5813 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5814 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5815 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5816 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5817 COMPOUND_NAME: Tebuconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5818 RETENTION_TIME: 6.933391
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5819 PRECURSOR_MZ: 308.1532
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5820 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5821 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5822 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5823 NUM PEAKS: 15
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5824 89.03882 78455.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5831 133.06488 89665.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5833 139.0309 552019.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5834 143.06068 143813.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5835 144.09352 109186.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5836 151.03107 2225088.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5837 165.04663 474739.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5838 179.0621 93619.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5839
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5840 SCANNUMBER: 1845
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5841 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5842 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5843 FORMULA: C13H11N3OCl2F4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5844 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5845 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5846 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5847 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5848 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5849 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5850 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5851 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5852 COMPOUND_NAME: Tetraconazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5853 RETENTION_TIME: 6.434036
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5854 PRECURSOR_MZ: 372.0302
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5855 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5856 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5857 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5858 NUM PEAKS: 6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5859 115.05463 210733.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5860 149.01559 493803.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5861 150.02344 1143618.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5862 158.97679 15780315.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5863 176.96693 301907.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5864 184.99236 249943.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5865
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5866 SCANNUMBER: 2640
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5867 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5868 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5869 FORMULA: C15H15N3OClF3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5870 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5871 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5872 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5873 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5874 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5875 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5877 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5878 COMPOUND_NAME: Triflumizole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5879 RETENTION_TIME: 6.821252
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5881 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5882 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5892 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5893 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5894 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5895 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5896 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5897 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5898 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5899 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5900 COMPOUND_NAME: Triticonazole
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5901 RETENTION_TIME: 6.793731
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5902 PRECURSOR_MZ: 318.1369
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5903 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5904 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5967 SCANNUMBER: 3229
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5969 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5970 FORMULA: C43H69NO10
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5971 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5972 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e 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
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5974 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5975 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5976 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5977 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5978 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5979 COMPOUND_NAME: Spinetoram L
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5980 RETENTION_TIME: 6.970665
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5981 PRECURSOR_MZ: 760.5021
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5982 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5983 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	5984 INSTRUMENT_TYPE: LC-ESI-Orbitrap
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6008 SCANNUMBER: 3373
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6009 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6010 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6011 FORMULA: C49H75NO13
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6012 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6013 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e 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
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6015 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6016 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6017 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6018 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6019 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6020 COMPOUND_NAME: Emamectin benzoate
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6021 RETENTION_TIME: 6.999389
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6022 PRECURSOR_MZ: 886.5328
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6023 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6024 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6025 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6026 NUM PEAKS: 11
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6038
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6039 SCANNUMBER: 1283
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6040 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6041 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6042 FORMULA: C20H33NO
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6043 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6044 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6045 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6046 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6047 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6048 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6049 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6050 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6051 COMPOUND_NAME: Fenpropimorph
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6052 RETENTION_TIME: 4.613603
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6053 PRECURSOR_MZ: 304.2642
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6054 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6055 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6056 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6057 NUM PEAKS: 14
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6073 SCANNUMBER: 4501
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6078 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6080 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6081 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6082 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6084 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6085 COMPOUND_NAME: Spirodiclofen
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6086 RETENTION_TIME: 7.279784
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6088 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6089 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6101 INCHI:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6103 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6104 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6105 IONIZATION: ESI+
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6107 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6108 COMPOUND_NAME: Spinosad
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6109 RETENTION_TIME: 6.884336
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6111 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6112 COLLISION_ENERGY:
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6140 SCANNUMBER: 1978
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6141 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6142 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6143 FORMULA: C21H27NO5
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6144 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6145 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6146 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6147 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6148 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6149 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6150 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6151 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6152 COMPOUND_NAME: Spirotetramat
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6153 RETENTION_TIME: 6.637813
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6154 PRECURSOR_MZ: 374.1972
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6155 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6156 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6157 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6158 NUM PEAKS: 25
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6184
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6185 SCANNUMBER: 2785
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6186 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6187 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6188 FORMULA: C42H69NO10
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6189 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6190 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e 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
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6192 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6193 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6194 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6195 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6196 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6197 COMPOUND_NAME: Spinetoram J
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6198 RETENTION_TIME: 6.875065
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6199 PRECURSOR_MZ: 748.4996
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6200 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6201 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6202 INSTRUMENT_TYPE: LC-ESI-Orbitrap
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6223
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6224 SCANNUMBER: 1646
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6225 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6226 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6227 FORMULA: C25H24N4F6
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6228 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6229 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e 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
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6231 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6232 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6233 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6234 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6235 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6236 COMPOUND_NAME: Hydramethylnon
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6237 RETENTION_TIME: 6.67979
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6238 PRECURSOR_MZ: 495.1986
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6239 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6240 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6241 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6242 NUM PEAKS: 48
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6292 SCANNUMBER: 742
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6293 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6294 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6295 FORMULA: C11H16N2O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6296 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6297 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6298 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6299 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6300 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6301 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6302 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6303 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6304 COMPOUND_NAME: Aminocarb_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6305 RETENTION_TIME: 0.8035756
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6306 PRECURSOR_MZ: 209.129
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6307 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6308 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6309 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6310 NUM PEAKS: 5
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6315 152.10725 186336.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6316
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6317 SCANNUMBER: 1198
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6318 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6319 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6320 FORMULA: C11H16N2O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6321 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6322 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6323 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6326 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6327 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6328 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6329 COMPOUND_NAME: Aminocarb_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6330 RETENTION_TIME: 1.13997
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6331 PRECURSOR_MZ: 209.129
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6332 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6333 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6334 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6335 NUM PEAKS: 5
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6336 120.05733 247123.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6337 122.06016 2666029.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6338 136.07611 1253139.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6339 137.08363 12201258.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6340 152.10725 242082.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6341
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6342 SCANNUMBER: 687
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6343 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6344 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6345 FORMULA: C9H20N2O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6346 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6347 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6348 SMILES: CCCOC(=NCCCN(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6349 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6350 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6351 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6352 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6353 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6354 COMPOUND_NAME: Propamocarb_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6355 RETENTION_TIME: 0.7535679
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6356 PRECURSOR_MZ: 189.1603
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6357 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6358 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6359 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6360 NUM PEAKS: 2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6361 86.0966 201548.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6362 102.05516 5038638.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6364 SCANNUMBER: 1108
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6365 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6366 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6367 FORMULA: C9H20N2O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6368 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6369 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6370 SMILES: CCCOC(=NCCCN(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6371 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6372 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6373 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6374 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6375 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6376 COMPOUND_NAME: Propamocarb_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6377 RETENTION_TIME: 1.081971
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6378 PRECURSOR_MZ: 189.1603
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6379 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6380 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6381 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6382 NUM PEAKS: 2
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6385
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6386 SCANNUMBER: 711
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6387 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6388 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6389 FORMULA: C11H15N3O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6390 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6391 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6392 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6393 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6394 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6395 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6396 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6397 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6398 COMPOUND_NAME: Formetanate_1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6399 RETENTION_TIME: 0.7730471
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6400 PRECURSOR_MZ: 222.1239
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6401 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6402 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6403 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6404 NUM PEAKS: 13
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6415 173.50876 2616.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6417 208.52768 2170.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6418
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6419 SCANNUMBER: 1161
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6420 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6421 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6422 FORMULA: C11H15N3O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6423 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6424 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6425 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6426 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6427 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6428 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6429 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6430 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6431 COMPOUND_NAME: Formetanate_2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6432 RETENTION_TIME: 1.13043
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6433 PRECURSOR_MZ: 222.1239
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6434 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6435 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6436 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6437 NUM PEAKS: 15
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6448 124.07605 4049.0
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e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6453
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6454 SCANNUMBER: 1328
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6455 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6456 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6457 FORMULA: C12H18N2O2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6458 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6459 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6460 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6461 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6462 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6463 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6464 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6465 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6466 COMPOUND_NAME: Mexacarbate
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6467 RETENTION_TIME: 1.682191
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6468 PRECURSOR_MZ: 223.1443
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6469 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6470 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6471 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6472 NUM PEAKS: 5
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6473 134.07283 2632951.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6474 136.07611 26036728.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6475 150.092 1572118.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6476 151.09932 54847764.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6477 166.12282 1541928.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6478
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6479 SCANNUMBER: 3999
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6480 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6481 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6482 FORMULA: C19H21N2OCl
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6483 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6484 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6485 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6486 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6487 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6488 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6489 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6490 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6491 COMPOUND_NAME: Monceren
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6492 RETENTION_TIME: 7.14553
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6493 PRECURSOR_MZ: 329.1426
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6494 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6495 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6496 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6497 NUM PEAKS: 5
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6498 89.03881 550831.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6499 94.06543 635265.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6500 106.06545 446416.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6501 125.01307 512150.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6502 125.01532 37442116.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6503
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6504 SCANNUMBER: 2271
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6505 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6506 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6507 FORMULA: C16H16N2O4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6508 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6509 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6510 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6511 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6512 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6513 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6514 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6515 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6516 COMPOUND_NAME: Desmedipham
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6517 RETENTION_TIME: 6.430396
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6518 PRECURSOR_MZ: 301.1192
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6519 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6520 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6521 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6522 NUM PEAKS: 3
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6523 136.03947 1773399.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6524 154.04993 1002798.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6525 182.08162 6480130.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6526
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6527 SCANNUMBER: 2458
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6528 IONMODE: Positive
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6529 SPECTRUMTYPE: Centroid
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6530 FORMULA: C16H16N2O4
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6531 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6532 INCHI:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6533 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6534 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6535 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6536 IONIZATION: ESI+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6537 LICENSE: CC BY-NC
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6538 COMMENT:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6539 COMPOUND_NAME: Phenmedipham
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6540 RETENTION_TIME: 6.570995
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6541 PRECURSOR_MZ: 301.1185
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6542 ADDUCT: [M+H]+
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6543 COLLISION_ENERGY:
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6544 INSTRUMENT_TYPE: LC-ESI-Orbitrap
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6545 NUM PEAKS: 2
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6546 136.03947 2596929.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6547 168.06587 7038054.0
e5010b19d64d planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e recetox parents: diff changeset	6548

Mercurial > repos > recetox > matchms_similarity

annotate test-data/convert/msp_out.msp @ 0:e5010b19d64d draft