matchms_fingerprint_similarity: test-data/convert/ms_lima

annotate test-data/convert/ms_lima_output.msp @ 1:df85b26201d1 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a

author	recetox
date	Thu, 12 Oct 2023 13:28:45 +0000
parents
children

rev	line source
1 df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1 FORMULA: C4H10NO3PS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3 SMILES: COP(=O)(N=C(O)C)SC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4 NAME: Acephate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	5 RETENTIONTIME: 1.232997
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	6 PRECURSORMZ: 184.0194
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	7 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	8 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	9 NUM PEAKS: 16
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	10 90.09368 1128.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	11 93.11512 1241.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	12 95.10279 1118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	13 101.31465 1152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	14 102.90688 1322.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	15 103.98039 1201.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	16 112.01607 12289.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	17 112.99994 38027.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	18 115.00399 1634.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	19 124.98121 922.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	20 128.97701 9208.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	21 132.57193 1350.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	22 135.84808 1428.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	23 142.99275 16419.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	24 147.94205 1750.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	25 173.5094 2353.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	26
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	27 FORMULA: C12H11NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	28 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	29 SMILES: CN=C(Oc1cccc2c1cccc2)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	30 NAME: Carbaryl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	31 RETENTIONTIME: 5.259445
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	32 PRECURSORMZ: 202.0863
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	33 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	34 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	35 NUM PEAKS: 1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	36 145.06491 1326147.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	37
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	38 FORMULA: C8H16NO5P
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	39 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	40 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	41 NAME: Dicrotophos
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	42 RETENTIONTIME: 2.025499
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	43 PRECURSORMZ: 238.0844
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	44 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	45 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	46 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	47 112.074 102027.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	48 112.07591 9070987.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	49 127.01563 3230337.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	50 193.02605 7897744.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	51 238.08437 2973124.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	52
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	53 FORMULA: C5H12NO3PS2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	54 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	55 SMILES: CN=C(CSP(=S)(OC)OC)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	56 NAME: Dimethoate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	57 RETENTIONTIME: 2.866696
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	58 PRECURSORMZ: 230.0072
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	59 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	60 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	61 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	62 88.0219 548446.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	63 124.98233 183861.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	64 142.99275 722053.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	65 156.95422 80792.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	66 170.97 1426256.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	67 197.98123 240915.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	68 198.96501 5415933.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	69 230.00722 497851.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	70
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	71 FORMULA: C21H22NO4Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	72 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	73 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	74 NAME: Dimethomorph
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	75 RETENTIONTIME: 7.060486
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	76 PRECURSORMZ: 388.1316
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	77 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	78 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	79 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	80 114.05532 468862.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	81 125.01571 886745.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	82 138.99484 4138370.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	83 155.0705 425164.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	84 165.05519 15513399.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	85 165.06543 350695.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	86 195.08057 386226.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	87 215.0262 490061.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	88 223.07544 702025.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	89 227.02576 230514.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	90 229.04225 216308.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	91 235.07555 241142.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	92 238.09914 1323577.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	93 242.04929 2449236.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	94 243.02142 891584.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	95 257.03726 578874.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	96 258.04443 3232295.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	97 266.0943 358273.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	98 270.04492 608851.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	99 273.06772 3866006.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	100 286.03912 483547.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	101 301.06311 4060551.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	102
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	103 FORMULA: C2H8NO2PS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	104 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	105 SMILES: COP(=O)(SC)N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	106 NAME: Methamidophos
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	107 RETENTIONTIME: 1.153307
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	108 PRECURSORMZ: 142.0089
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	109 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	110 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	111 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	112 98.00042 37721.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	113 109.98272 71172.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	114 112.01607 2867923.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	115 127.99321 75837.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	116
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	117 FORMULA: C7H13O6P
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	118 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	119 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	120 NAME: Mevinphos
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	121 RETENTIONTIME: 2.876307
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	122 PRECURSORMZ: 225.0525
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	123 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	124 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	125 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	126 99.04416 295529.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	127 127.01563 1960973.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	128 193.02605 1150190.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	129 225.05209 101872.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	130
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	131 FORMULA: C5H12NO4PS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	132 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	133 SMILES: CN=C(CSP(=O)(OC)OC)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	134 NAME: Omethoate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	135 RETENTIONTIME: 1.33423
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	136 PRECURSORMZ: 214.0303
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	137 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	138 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	139 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	140 104.01654 86844.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	141 124.98233 194375.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	142 127.01563 4696021.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	143 128.97701 47970.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	144 142.99275 4310988.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	145
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	146 FORMULA: C16H20O6P2S3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	147 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	148 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	149 NAME: Temephos
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	150 RETENTIONTIME: 7.736881
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	151 PRECURSORMZ: 466.9978
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	152 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	153 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	154 NUM PEAKS: 44
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	155 124.98233 218400.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	156 125.00596 124192.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	157 127.01563 590561.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	158 139.02167 79978.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	159 139.05467 105470.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	160 140.95975 428071.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	161 142.99275 7482486.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	162 154.99849 619650.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	163 157.00861 365474.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	164 171.02641 502869.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	165 172.03448 151150.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	166 183.02695 176056.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	167 184.03453 206568.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	168 187.02121 240339.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	169 199.02151 245544.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	170 200.02902 385101.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	171 201.03729 198527.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	172 211.03268 88063.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	184 264.00052 186556.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	185 278.98856 208891.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	191 311.01453 119733.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	193 327.99893 299098.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	195 342.01566 293721.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	196 356.03104 227870.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	197 357.03922 75786.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	198 387.9765 125383.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	199
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	200 FORMULA: C4H8O4Cl3P
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	201 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	202 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	203 NAME: Trichlorfon
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	204 RETENTIONTIME: 2.242985
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	205 PRECURSORMZ: 256.9308
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	206 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	207 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	208 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	209 93.01007 104589.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	210 97.00512 72293.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	211 112.99994 32292.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	212 127.01563 3150219.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	213
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	214 FORMULA: C8H18NO4PS2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	215 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	216 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	217 NAME: Vamidothion
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	218 RETENTIONTIME: 2.914602
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	219 PRECURSORMZ: 288.0491
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	220 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	221 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	222 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	223 118.03215 464396.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	224 146.06366 10321336.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	225 288.04907 1456244.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	226
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	227 FORMULA: C7H14N2O4S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	228 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	229 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	230 NAME: Aldicarb sulfone
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	231 RETENTIONTIME: 1.483623
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	232 PRECURSORMZ: 223.075
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	233 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	234 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	235 NUM PEAKS: 9
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	236 86.06018 763151.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	237 106.03234 330646.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	238 120.04782 16624.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	239 148.03964 11931.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	240 148.04301 1170924.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	241 166.05334 738329.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	242 208.9567 12192.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	243 223.06381 99297.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	244 223.07454 90546.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	245
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	246 FORMULA: C20H30N2O5S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	247 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	248 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	249 NAME: Benfuracarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	250 RETENTIONTIME: 7.163228
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	251 PRECURSORMZ: 411.1956
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	252 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	253 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	254 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	255 90.03748 30498.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	256 102.00096 69259.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	257 109.02874 31641.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	258 111.08049 29319.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	259 112.07591 44046.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	260 115.05431 43630.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	261 116.07085 30236.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	262 125.00558 53990.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	263 133.0649 58728.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	264 137.05998 23811.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	265 143.04921 51685.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	266 144.05734 107852.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	267 149.04198 61180.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	268 153.0369 175741.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	269 158.11797 70456.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	270 161.06012 99721.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	271 162.0676 971826.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	272 167.01654 45521.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	273 167.05246 131346.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	274 171.0114 23364.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	275 177.03709 172641.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	276 195.04765 2265269.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	277
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	278 FORMULA: C7H14N2O4S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	279 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	280 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	281 NAME: Butoxycarboxim
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	282 RETENTIONTIME: 1.483623
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	283 PRECURSORMZ: 223.075
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	284 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	285 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	286 NUM PEAKS: 9
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	287 86.06018 763151.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	288 106.03234 330646.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	289 120.04782 16624.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	290 148.03964 11931.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	291 148.04301 1170924.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	292 166.05334 738329.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	293 208.9567 12192.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	294 223.06381 99297.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	295 223.07454 90546.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	296
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	297 FORMULA: C18H26N2O5S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	298 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	299 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	300 NAME: Furathiocarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	301 RETENTIONTIME: 7.19165
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	302 PRECURSORMZ: 383.1642
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	303 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	304 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	305 NUM PEAKS: 49
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	307 90.03748 426298.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	308 91.05442 232061.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	309 95.04954 175219.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	310 97.01102 504855.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	311 105.0702 848188.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	312 107.04936 404555.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	313 107.08593 329012.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	314 109.02874 370826.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	315 109.0651 289619.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	316 111.0808 200502.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	317 115.05464 651489.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	318 116.06246 367386.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	319 117.07032 300497.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	320 118.07793 135317.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	321 121.06524 216247.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	322 122.03665 593314.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	323 123.04434 862460.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	324 125.00596 4842440.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	325 131.04935 572523.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	326 133.0649 1461373.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	327 134.01871 277355.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	328 134.07285 254631.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	329 135.08093 991426.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	330 137.05998 186090.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	331 139.02167 356706.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	332 139.05775 475631.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	333 143.04967 427124.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	334 144.05734 1163702.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	335 145.0649 273080.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	336 146.07314 822073.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	337 147.04451 460929.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	338 147.08089 234097.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	339 149.00584 154496.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	340 149.04247 1446405.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	341 149.06004 3536863.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	342 153.00082 192002.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	343 153.0374 1282857.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	344 161.06012 1492726.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	345 162.0676 9461931.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	346 163.07562 216378.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	347 164.08348 6924294.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	348 165.09103 228313.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	349 167.01654 354658.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	350 167.05304 10929155.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	351 171.0114 128914.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	352 177.03709 3978125.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	353 180.02414 213051.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	354 195.04765 11849349.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	355
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	356 FORMULA: C10H11N3OS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	357 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	358 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	359 NAME: Methabenzthiazuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	360 RETENTIONTIME: 6.711947
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	361 PRECURSORMZ: 222.0702
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	362 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	363 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	364 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	365 92.0498 456372.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	366 109.01102 367319.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	367 123.01394 375280.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	368 124.02193 2568680.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	369 132.06825 123566.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	370 150.02492 9399192.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	371 163.03316 152108.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	372 165.04836 9598566.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	373
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	374 FORMULA: C9H16N4OS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	375 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	376 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	377 NAME: Tebuthiuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	378 RETENTIONTIME: 4.241355
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	379 PRECURSORMZ: 229.1121
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	380 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	381 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	382 NUM PEAKS: 9
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	383 88.0219 230604.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	384 89.01719 2030070.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	385 101.04233 435137.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	386 116.0279 20609154.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	387 141.04826 319289.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	388 142.04346 1851694.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	389 156.05936 1133851.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	390 157.06721 6762498.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	391 172.09081 12592908.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	392
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	393 FORMULA: C9H8N4OS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	394 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	395 SMILES: OC(=Nc1ccccc1)Nc1cnns1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	396 NAME: Thidiazuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	397 RETENTIONTIME: 4.909884
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	398 PRECURSORMZ: 221.0497
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	399 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	400 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	401 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	402 92.04957 154355.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	403 94.0652 188105.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	404 95.04929 172328.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	405 102.0123 2547264.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	406 105.04477 127605.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	407 120.04464 76344.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	408 127.99126 615346.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	409
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	410 FORMULA: C11H15NO2S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	411 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	412 SMILES: CCSCc1ccccc1OC(=NC)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	413 NAME: Ethiofencarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	414 RETENTIONTIME: 5.074083
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	415 PRECURSORMZ: 226.09
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	416 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	417 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	418 NUM PEAKS: 6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	419 95.04929 42106.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	420 105.04477 32913.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	421 107.04936 243964.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	422 120.08101 4266.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	423 134.0966 5759.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	424 147.93529 2678.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	425
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	426 FORMULA: C11H15NO2S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	427 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	428 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	429 NAME: Methiocarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	430 RETENTIONTIME: 6.352629
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	431 PRECURSORMZ: 226.0899
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	432 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	433 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	434 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	435 121.06488 799606.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	436 122.07284 96691.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	437 169.06853 4882474.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	438 226.08951 145633.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	439
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	440 FORMULA: C12H15NO3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	441 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	442 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	443 NAME: Carbofuran
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	444 RETENTIONTIME: 4.14677
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	445 PRECURSORMZ: 222.1128
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	446 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	447 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	448 NUM PEAKS: 10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	449 91.05442 804154.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	450 95.04929 737907.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	451 105.03379 225770.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	452 105.04506 153330.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	453 111.04436 105844.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	454 119.04944 164758.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	455 119.0857 227890.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	456 123.04434 10121862.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	457 137.05997 448261.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	458 147.08089 104307.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	459
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	460 FORMULA: C15H15N2O2Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	461 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	462 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	463 NAME: Chloroxuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	464 RETENTIONTIME: 6.824893
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	465 PRECURSORMZ: 291.09
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	466 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	467 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	468 NUM PEAKS: 34
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	469 94.04169 27706.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	470 98.99973 58512.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	471 106.06546 243512.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	472 118.06519 562204.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	473 119.07315 45536.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	474 120.081 78773.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	475 126.99488 83528.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	476 128.06239 310868.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	477 129.01042 87060.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	478 139.00583 288886.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	479 145.0649 99810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	480 146.06033 24021.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	481 147.06796 35662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	482 149.01559 36207.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	483 152.00261 21619.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	484 154.06534 101982.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	485 155.06065 198243.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	486 155.07309 108829.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	487 163.03091 1196885.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	488 163.08679 138657.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	489 164.09476 19883.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	490 168.05711 61850.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	491 173.50755 33783.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	492 175.03131 42262.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	493 182.05989 34322.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	494 183.06813 160230.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	495 190.04181 279261.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	496 191.02574 49125.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	497 211.06313 28451.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	498 218.03699 1977628.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	499 219.04449 20961.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	500 233.15379 75598.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	501 246.03224 40845.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	502 249.18484 96150.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	503
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	504 FORMULA: C10H13N2OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	505 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	506 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	507 NAME: Chlortoluron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	508 RETENTIONTIME: 5.193264
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	509 PRECURSORMZ: 213.0795
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	510 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	511 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	512 NUM PEAKS: 14
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	513 89.03883 57032.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	514 95.04929 125786.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	515 96.04461 17062.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	516 98.99973 31149.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	517 104.04956 355337.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	518 105.04477 72262.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	519 105.05748 49060.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	520 113.01541 282031.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	521 125.01533 380427.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	522 132.04463 44913.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	523 133.05254 86668.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	524 140.02612 1662428.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	525 153.02165 91587.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	526 168.02145 83345.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	527
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	528 FORMULA: C11H22N2O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	529 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	530 SMILES: CN(C(=NC1CCCCCCC1)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	531 NAME: Cycluron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	532 RETENTIONTIME: 5.00998
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	533 PRECURSORMZ: 199.1809
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	534 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	535 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	536 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	537 89.07108 1303776.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	538 111.11694 18709.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	539 147.92079 14411.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	540 147.93768 15209.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	541
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	542 FORMULA: C14H21NO4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	543 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	544 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	545 NAME: Diethofencarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	546 RETENTIONTIME: 6.124817
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	547 PRECURSORMZ: 268.1547
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	548 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	549 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	550 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	551 152.07103 98482.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	552 180.06563 117586.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	553 180.10194 441784.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	554 198.0762 507187.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	555 208.09682 172166.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	556 226.10776 6612320.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	557 268.15411 115526.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	558
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	559 FORMULA: C14H9N2O2ClF2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	560 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	561 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	562 NAME: Diflubenzuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	563 RETENTIONTIME: 6.959446
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	564 PRECURSORMZ: 311.0396
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	565 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	566 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	567 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	568 141.01498 340685.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	569 158.04167 9035608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	570 311.03952 2283440.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	571
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	572 FORMULA: C9H10N2OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	573 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	574 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	575 NAME: Diuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	576 RETENTIONTIME: 5.711479
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	577 PRECURSORMZ: 233.0248
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	578 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	579 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	580 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	581 123.99487 30141.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	582 125.00295 82231.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	583 132.96072 233186.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	584 151.03258 25890.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	585 152.99777 66942.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	586 159.97182 940217.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	587 172.96721 73012.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	588 187.96654 38425.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	589
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	590 FORMULA: C11H13NO4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	591 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	592 SMILES: CN=C(Oc1ccccc1C1OCCO1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	593 NAME: Dioxacarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	594 RETENTIONTIME: 2.808769
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	595 PRECURSORMZ: 224.092
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	596 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	597 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	598 NUM PEAKS: 6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	599 95.04929 26554.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	600 123.04434 805609.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	601 162.05486 264649.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	602 167.07042 1519113.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	603 208.95668 21966.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	604 224.12801 18664.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	605
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	606 FORMULA: C11H13NO4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	607 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	608 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	609 NAME: Bendiocarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	610 RETENTIONTIME: 4.036841
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	611 PRECURSORMZ: 224.092
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	612 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	613 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	614 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	615 109.02843 576717.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	616 167.07042 2075283.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	617 224.092 50305.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	618 224.12801 22894.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	619
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	620 FORMULA: C12H17NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	621 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	622 SMILES: CCC(c1ccccc1OC(=NC)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	623 NAME: Fenobucarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	624 RETENTIONTIME: 5.279047
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	625 PRECURSORMZ: 208.1339
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	626 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	627 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	628 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	629 95.04929 2304002.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	630 151.1118 339052.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	631 152.07103 1283617.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	632 208.13309 261671.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	633 208.15242 67196.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	634
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	635 FORMULA: C21H11N2O3ClF6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	636 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	637 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	638 NAME: Flufenoxuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	639 RETENTIONTIME: 7.258582
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	640 PRECURSORMZ: 489.044
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	641 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	642 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	643 NUM PEAKS: 9
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	644 140.03102 198040.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	645 141.01498 8731300.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	646 141.02489 125031.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	647 158.04167 5469943.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	648 306.03055 226666.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	649 326.76685 460767.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	650 328.76389 301405.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	651 407.68225 401379.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	652 409.68002 103253.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	653
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	654 FORMULA: C10H11N2OF3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	655 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	656 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	657 NAME: Fluometuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	658 RETENTIONTIME: 4.295248
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	659 PRECURSORMZ: 233.0903
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	660 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	661 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	662 NUM PEAKS: 14
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	663 133.02617 72647.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	664 140.03056 412576.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	665 141.02579 30382.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	666 145.02599 1001995.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	667 148.03093 43335.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	668 160.03375 16242.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	669 160.037 1435798.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	670 163.0365 19807.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	671 168.02554 576288.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	672 173.03194 272722.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	673 173.50755 34131.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	674 178.04784 113811.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	675 188.03226 109696.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	676 192.06305 82452.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	677
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	678 FORMULA: C12H10N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	679 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	680 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	681 NAME: Forchlorfenuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	682 RETENTIONTIME: 6.068144
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	683 PRECURSORMZ: 248.0593
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	684 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	685 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	686 NUM PEAKS: 6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	687 93.04498 1144138.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	694 FORMULA: C12H15NO4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	695 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	696 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	697 NAME: 3-Hydroxycarbofuran
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	698 RETENTIONTIME: 2.534817
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	699 PRECURSORMZ: 238.1075
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	700 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	701 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	702 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	703 135.08051 61121.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	705 181.08611 3459316.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	706 207.06541 67306.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	707 208.95668 38515.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	708 220.09669 446913.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	709 238.10802 398788.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	710
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	711 FORMULA: C22H17N3O7ClF3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	712 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	713 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	714 NAME: Indoxacarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	715 RETENTIONTIME: 7.23968
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	716 PRECURSORMZ: 528.0795
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	717 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	718 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	719 NUM PEAKS: 38
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	720 104.04956 303700.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	721 127.04175 99545.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	722 128.06201 117126.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	723 132.04463 290691.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	724 134.0237 264912.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	725 137.0152 94534.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	726 142.06526 75186.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	727 149.01559 214826.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	728 150.0106 1405054.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	729 155.06065 232073.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	730 160.05058 254333.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	731 162.01057 1521152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	732 163.01862 86648.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	733 163.03091 132653.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	734 164.02652 208730.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	735 165.03412 90438.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	736 167.0258 357529.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	737 168.02145 1690027.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	738 174.99464 101678.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	739 177.01054 92638.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	740 177.03394 231314.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	741 179.02611 358184.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	742 180.02089 413839.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	744 189.02151 643960.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	747 194.03688 93119.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	750 204.00897 308332.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	759 FORMULA: C18H28N2O3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	760 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	761 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	762 NAME: Iprovalicarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	763 RETENTIONTIME: 6.291288
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	766 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	767 NUM PEAKS: 9
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	768 116.07085 2061421.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	771 144.06569 976637.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	778 FORMULA: C12H18N2O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	779 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	780 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	781 NAME: Isoproturon
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	782 RETENTIONTIME: 4.953308
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	783 PRECURSORMZ: 207.1494
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	784 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	785 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	786 NUM PEAKS: 27
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	787 91.05442 804905.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	788 92.04957 254047.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	789 93.0575 33128.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	790 93.07003 116103.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	791 94.06519 63492.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	792 95.04929 164116.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	793 103.05439 51947.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	794 104.0621 43995.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	795 105.04477 78368.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	796 105.06991 101627.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	797 106.06517 86652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	798 107.08415 19657.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	799 107.08563 575392.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	800 108.08108 26529.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	801 109.0651 34575.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	802 115.05431 109513.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	803 117.06998 312366.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	804 118.06519 123299.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	805 119.0606 36796.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	806 119.07315 606574.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	807 120.04464 242145.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	808 132.08089 72884.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	809 134.0966 1730390.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	810 137.09615 58215.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	811 147.0919 129941.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	812 162.09142 42617.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	813 165.10242 74899.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	814
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	815 FORMULA: C9H10N2O2Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	816 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	817 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	818 NAME: Linuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	819 RETENTIONTIME: 6.428301
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	820 PRECURSORMZ: 249.0202
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	821 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	822 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	823 NUM PEAKS: 17
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	824 123.99524 160993.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	825 125.00295 934482.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	826 126.01085 53171.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	827 127.0187 34132.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	828 132.96072 2098030.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	829 133.96875 42332.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	830 142.00574 58394.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	831 153.02165 907640.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	832 154.02942 31975.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	833 159.97182 1453641.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	834 160.97951 1564652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	835 165.02161 76894.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	836 167.0009 34764.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	837 173.98759 32777.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	838 181.0168 457538.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	839 182.02429 570846.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	840 216.99352 182540.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	841
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	842 FORMULA: C9H11N2O2Br
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	843 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	844 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	845 NAME: Metobromuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	846 RETENTIONTIME: 5.555997
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	847 PRECURSORMZ: 259.0081
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	848 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	849 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	850 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	851 90.03403 60649.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	852 91.04183 2389714.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	853 92.04957 214805.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	854 93.0575 47461.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	855 110.06014 105724.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	856 119.0606 1438162.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	857 120.06829 52547.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	858 131.06062 84354.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	859 142.94916 1281698.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	860 147.05553 745419.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	861 148.06332 717928.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	862 169.95995 3654354.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	863 170.96819 2866842.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	864 183.97557 70285.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	865 226.98169 352678.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	866
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	867 FORMULA: C9H11N2O2Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	868 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	869 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	870 NAME: Monolinuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	871 RETENTIONTIME: 5.086284
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	872 PRECURSORMZ: 215.0587
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	873 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	874 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	875 NUM PEAKS: 16
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	876 90.03403 245033.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	877 91.04183 266487.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	878 92.0498 149734.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	879 93.0575 65470.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	880 98.99973 5081895.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	881 100.00744 171810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	882 119.0606 1725493.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	883 120.06829 76212.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	884 126.01085 4292995.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	885 127.01831 4179362.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	886 131.06062 91755.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	887 140.02657 95768.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	888 141.02174 52283.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	889 147.05553 873918.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	890 148.06332 1071865.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	891 183.03224 448058.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	892
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	893 FORMULA: C17H19NO4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	894 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	895 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	896 NAME: Fenoxycarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	897 RETENTIONTIME: 7.007411
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	898 PRECURSORMZ: 302.1392
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	899 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	900 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	901 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	902 88.03963 3398675.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	903 116.07085 7870537.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	904 256.09756 3714539.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	905 302.13986 4154405.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	906
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	907 FORMULA: C9H12N2O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	908 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	909 SMILES: CN(C(=Nc1ccccc1)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	910 NAME: Fenuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	911 RETENTIONTIME: 2.603287
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	912 PRECURSORMZ: 165.1026
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	913 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	914 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	915 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	916 90.94795 13666.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	917 92.04957 465012.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	918 93.0575 10288.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	919 95.0478 10698.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	920 95.04929 620773.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	921 104.96333 7099.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	922 105.04477 391134.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	923 120.04464 89335.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	924
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	925 FORMULA: C11H15NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	926 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	927 SMILES: CN=C(Oc1ccccc1C(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	928 NAME: Isoprocarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	929 RETENTIONTIME: 4.552796
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	930 PRECURSORMZ: 194.1181
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	931 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	932 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	933 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	934 95.04929 1741248.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	935 137.09615 1255669.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	936 152.07103 658146.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	937 194.11743 393850.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	938
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	939 FORMULA: C19H18N3O4Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	940 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	941 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	942 NAME: Pyraclostrobin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	943 RETENTIONTIME: 7.421628
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	944 PRECURSORMZ: 388.107
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	945 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	946 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	947 NUM PEAKS: 11
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	948 162.0554 983545.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	949 163.06332 1950324.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	950 164.07108 4818863.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	951 194.08186 23217608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	952 296.05423 282175.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	953 296.05969 5986147.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	954 324.05402 1024635.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	955 356.07611 701579.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	956 356.08151 2958382.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	957 357.08807 317478.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	958 388.10776 6476718.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	959
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	960 FORMULA: C14H20N2O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	961 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	962 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	963 NAME: Siduron_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	964 RETENTIONTIME: 5.922128
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	965 PRECURSORMZ: 233.1652
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	966 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	967 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	968 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	969 92.0498 933541.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	970 93.0575 170423.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	971 94.06544 14211722.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	972 95.04929 2073643.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	973 97.10134 599721.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	974 105.04506 1075144.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	975 120.04464 1602718.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	976 137.07117 1760320.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	977
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	978 FORMULA: C14H20N2O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	979 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	980 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	981 NAME: Siduron_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	982 RETENTIONTIME: 6.048454
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	983 PRECURSORMZ: 233.1654
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	984 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	985 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	986 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	987 92.04957 227079.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	988 93.0575 48287.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	989 94.06519 3308508.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	990 95.04929 491391.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	991 97.10134 147324.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	992 105.04477 331107.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	993 120.04464 414038.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	994 137.07117 494688.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	995
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	996 FORMULA: C12H16NOClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	997 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	998 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	999 NAME: Thiobencarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1000 RETENTIONTIME: 7.094566
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1001 PRECURSORMZ: 258.0717
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1002 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1003 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1004 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1005 89.03883 1114558.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1006 98.99973 585236.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1007 125.01533 28327212.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1008
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1009 FORMULA: C15H10N2O3ClF3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1010 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1011 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1012 NAME: Triflumuron
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1013 RETENTIONTIME: 6.978649
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1014 PRECURSORMZ: 359.0412
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1015 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1016 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1017 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1018 113.01541 658622.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1019 129.01042 138249.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1020 138.011 140957.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1021 138.99484 9851099.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1022 139.00452 474854.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1023 156.02116 3353307.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1024 178.04784 200379.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1025
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1026 FORMULA: C10H13NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1027 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1028 SMILES: CC(OC(=Nc1ccccc1)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1029 NAME: Propham
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1030 RETENTIONTIME: 6.134321
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1031 PRECURSORMZ: 180.1022
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1032 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1033 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1034 NUM PEAKS: 13
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1035 91.05442 8291.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1036 93.0575 2806.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1037 95.04929 8647.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1038 96.04461 67785.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1039 97.02845 206258.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1040 105.0335 4841.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1041 105.04477 6538.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1042 106.02882 185730.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1043 109.02843 2611.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1044 117.0574 2236.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1045 124.03935 187312.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1046 134.0237 14609.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1047 152.0343 3135.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1048
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1049 FORMULA: C11H15NO3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1050 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1051 SMILES: CN=C(Oc1ccccc1OC(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1052 NAME: Propoxur
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1053 RETENTIONTIME: 3.894733
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1054 PRECURSORMZ: 210.1129
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1055 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1056 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1057 NUM PEAKS: 6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1058 93.03366 11976.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1059 111.04436 1112660.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1060 153.09126 254920.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1061 168.06589 785437.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1062 199.97662 26875.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1063 210.11256 38244.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1064
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1065 FORMULA: C12H16N2OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1066 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1067 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1068 NAME: Neburon
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1069 RETENTIONTIME: 6.834164
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1070 PRECURSORMZ: 275.0721
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1071 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1072 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1073 NUM PEAKS: 12
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1074 88.11217 614563.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1075 114.09161 31817.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1076 123.99487 30163.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1077 125.00258 66386.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1078 127.01831 315476.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1079 132.96072 198326.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1080 152.99777 149347.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1081 159.97182 1502459.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1082 161.98734 127589.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1083 172.9666 45053.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1084 173.50816 20256.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1085 187.96652 106090.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1086
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1087 FORMULA: C11H18N4O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1088 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1089 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1090 NAME: Pirimicarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1091 RETENTIONTIME: 2.886323
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1092 PRECURSORMZ: 239.1508
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1093 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1094 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1095 NUM PEAKS: 16
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1096 85.07622 1062158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1097 94.05271 17085.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1098 109.07641 1234692.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1099 123.0557 18419.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1100 124.06345 155955.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1101 137.07117 726268.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1102 138.0789 659866.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1103 139.08681 37108.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1104 150.10287 446134.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1105 152.08211 433568.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1106 166.09756 38582.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1107 167.10577 250650.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1108 168.11327 14402.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1109 180.11363 53047.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1110 182.12914 1046026.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1111 195.16029 68565.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1112
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1113 FORMULA: C12H17NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1114 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1115 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1116 NAME: Promecarb
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1117 RETENTIONTIME: 5.65392
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1118 PRECURSORMZ: 208.1339
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1119 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1120 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1121 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1122 109.0651 1911986.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1123 151.1118 3833728.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1124 208.13309 173991.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1125
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1126 FORMULA: C9H17N5S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1127 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1128 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1129 NAME: Ametryn
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1130 RETENTIONTIME: 4.38309
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1131 PRECURSORMZ: 228.1282
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1132 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1133 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1134 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1135 85.05116 494786.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1136 91.03273 2410460.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1137 96.05421 57071.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1138 96.05572 4102907.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1139 102.03746 125646.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1140 110.04619 527391.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1141 113.08218 433234.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1142 116.0279 3479269.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1143 138.07761 1659836.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1144 140.09331 43027.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1145 144.05919 1428619.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1146 158.04967 1355067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1147 184.06534 61690.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1148 186.08095 4152044.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1149 228.12772 94575.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1150
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1151 FORMULA: C22H17N3O5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1152 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1153 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1154 NAME: Azoxystrobin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1155 RETENTIONTIME: 6.9269
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1156 PRECURSORMZ: 404.1249
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1157 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1158 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1159 NUM PEAKS: 46
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1160 120.04499 298934.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1161 129.04543 475852.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1162 130.0406 263606.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1163 133.05293 386291.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1164 134.06076 1413032.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1165 141.04556 164042.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1166 143.06114 793237.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1172 170.04799 171763.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1174 171.05582 571918.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1175 172.03992 1796369.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1177 177.05542 349400.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1178 182.04868 292236.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1179 182.0724 305597.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1180 183.05617 4029271.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1181 199.05089 723420.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1182 200.03506 1025293.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1183 201.04263 1807636.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1184 201.06636 510108.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1186 210.0668 342264.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1187 211.05078 355209.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1188 216.06657 1168439.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1189 246.07988 182890.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1190 272.0834 1282380.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1191 273.06769 795436.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1192 273.0907 1168355.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1193 274.07443 221912.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1194 275.08304 260482.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1195 287.08322 453884.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1196 288.06744 172169.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1197 300.07855 1244681.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1199 312.07855 219216.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1200 315.10245 205186.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1201 316.10916 292099.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1202 328.07382 3766201.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1203 329.08087 15964814.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1204 344.10461 2718360.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1205 372.10004 167044.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1206
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1207 FORMULA: C20H23NO3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1208 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1209 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1210 NAME: Benalaxyl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1211 RETENTIONTIME: 7.079875
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1212 PRECURSORMZ: 326.1756
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1213 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1214 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1215 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1216 91.05441 11560916.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1217 105.0702 367839.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1218 106.06546 647312.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1219 120.081 385637.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1220 121.08883 11501126.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1221 122.09673 517871.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1222 133.08878 546024.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1223 148.11217 23207426.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1224
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1225 FORMULA: C18H12N2OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1226 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1227 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1228 NAME: Boscalid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1229 RETENTIONTIME: 6.811709
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1230 PRECURSORMZ: 343.0408
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1231 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1232 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1233 NUM PEAKS: 27
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1234 96.04461 588528.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1235 111.99506 131288.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1236 112.03961 562594.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1237 114.01087 183518.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1238 130.00558 256565.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1239 139.99011 1220289.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1240 152.06248 66998.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1241 216.08105 60699.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1242 227.07349 93814.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1243 228.08148 96430.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1244 229.08876 93365.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1245 230.03716 77307.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1246 238.04195 58994.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1247 242.08464 181011.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1248 243.09259 680474.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1249 244.09969 317520.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1250 253.07672 424600.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1251 254.08458 657164.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1252 264.05807 118437.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1253 270.07944 187992.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1254 271.08762 5868577.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1255 272.09424 5476461.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1256 279.0686 68522.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1257 289.05276 1245064.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1258 305.04871 107573.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1259 306.05643 72921.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1260 307.06335 2958245.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1261
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1262 FORMULA: C12H16N2O3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1263 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1264 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1265 NAME: Carbetamide
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1266 RETENTIONTIME: 3.923062
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1269 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1270 NUM PEAKS: 12
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1284 FORMULA: C15H14N3O3Cl2F3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1285 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1286 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1287 NAME: Carfentrazone ethyl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1288 RETENTIONTIME: 6.898515
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1290 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1291 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1292 NUM PEAKS: 75
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1361 302.03137 2921622.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1362 303.0383 181158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1363 316.00662 372285.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1364 318.00153 484008.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1365 320.04153 58056.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1366 338.00775 410316.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1367 345.99677 2618042.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1368
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1369 FORMULA: C18H14N5O2BrCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1370 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1371 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1372 NAME: Chlorantraniliprole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1373 RETENTIONTIME: 6.589343
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1374 PRECURSORMZ: 481.9785
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1375 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1376 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1377 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1378 283.92297 5735542.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1381 481.97949 1501231.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1382
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1383 FORMULA: C14H8N4Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1384 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1385 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1386 NAME: Clofentezine
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1387 RETENTIONTIME: 7.397017
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1388 PRECURSORMZ: 303.0207
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1389 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1390 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1391 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1392 92.0498 44376.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1393 102.03414 382179.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1394 120.04463 495630.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1395 130.04021 2783936.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1396 138.01057 2494447.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1397
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1398 FORMULA: C14H15N3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1399 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1400 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1401 NAME: Cyprodinil
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1402 RETENTIONTIME: 6.669806
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1403 PRECURSORMZ: 226.1346
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1404 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1405 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1406 NUM PEAKS: 68
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1407 89.03882 250501.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1408 91.05441 2917894.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1409 92.0498 1832571.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1410 92.06236 327913.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1411 93.0575 7935048.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1412 94.06544 551055.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1413 95.04928 1106686.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1414 104.04984 578815.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1415 105.04505 751939.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1416 106.06546 3348979.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1417 107.07314 366893.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1418 108.06842 996581.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1419 108.08108 5293585.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1420 109.0761 435067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1421 110.06014 373109.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1422 115.0543 340655.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1423 116.0497 1136768.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1424 117.0574 936588.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1425 118.05279 3491518.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1426 118.06519 1243941.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1427 119.06059 3591314.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1428 123.09197 364628.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1429 124.07606 563904.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1430 130.06528 192669.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1431 131.06062 1377516.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1432 132.06825 1932161.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1433 133.07642 3211678.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1434 134.06033 753709.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1435 142.06525 584454.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1436 143.06068 1778669.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1437 143.07307 279220.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1438 144.05594 191195.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1439 144.08099 2104332.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1440 145.07616 882365.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1441 149.07127 251299.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1442 156.06825 169085.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1443 157.0762 329957.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1444 158.0838 181590.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1445 159.09198 963940.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1446 165.06998 303199.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1447 167.06058 287846.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1448 167.07332 1087973.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1449 168.06824 523675.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1450 168.08109 896186.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1451 169.07619 575896.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1452 170.0843 204211.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1453 171.09184 238779.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1454 181.07629 410526.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1455 182.08427 540213.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1456 182.09682 243307.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1457 183.07944 619682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1458 183.09206 583441.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1459 184.08746 1461784.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1460 185.10789 904319.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1461 191.07323 180652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1462 193.07642 1237200.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1463 194.08405 2240403.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1464 196.08698 270421.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1465 197.09528 430359.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1466 198.10313 664506.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1467 199.11044 212040.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1468 207.0918 1191559.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1469 208.10004 666594.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1470 209.10754 1644491.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1471 210.10275 4134248.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1472 211.11086 699261.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1473 224.1181 912227.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1474 226.13422 16374867.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1475
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1476 FORMULA: C6H10N6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1477 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1478 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1479 NAME: Cyromazine_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1480 RETENTIONTIME: 0.7250975
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1481 PRECURSORMZ: 167.1043
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1482 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1483 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1484 NUM PEAKS: 9
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1485 85.05116 569181.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1486 108.05576 364390.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1487 110.0462 49797.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1488 125.08251 178192.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1489 127.07288 24861.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1490 139.07271 33973.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1491 150.0777 7345.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1492 151.07292 35146.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1493 167.10403 54669.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1494
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1495 FORMULA: C6H10N6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1496 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1497 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1498 NAME: Cyromazine_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1499 RETENTIONTIME: 1.057777
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1500 PRECURSORMZ: 167.1043
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1501 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1502 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1503 NUM PEAKS: 12
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1504 85.05095 323769.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1505 100.08693 5287.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1506 108.05576 223896.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1507 110.0462 30873.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1508 112.06189 4105.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1509 125.08213 95867.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1510 127.07288 11228.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1511 139.07271 22781.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1512 150.0777 3986.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1513 151.07292 16833.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1514 155.01868 3272.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1515 167.10403 33800.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1516
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1517 FORMULA: C19H22N2O3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1518 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1519 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1520 NAME: Dimoxystrobin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1521 RETENTIONTIME: 7.042906
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1522 PRECURSORMZ: 327.1716
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1523 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1524 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1525 NUM PEAKS: 25
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1526 89.03882 267042.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1527 91.05465 1177860.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1528 92.05786 587003.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1529 106.06546 63219.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1530 116.0497 4287725.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1531 117.0574 207058.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1532 118.06553 62777.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1533 121.06523 72575.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1534 121.08883 992075.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1535 122.09238 613096.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1536 134.06033 559976.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1537 135.08092 79495.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1538 148.07639 58182.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1539 148.11266 1671042.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1540 149.10986 53924.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1541 149.11572 1649040.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1542 178.0778 129475.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1543 180.08119 207313.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1544 193.10162 104706.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1545 194.09711 110382.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1546 195.10469 223024.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1547 221.09647 105352.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1548 222.09152 46935.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1549 222.10396 66419.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1550 223.09956 719508.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1551
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1552 FORMULA: C20H22N2O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1553 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1554 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1555 NAME: Fenazaquin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1556 RETENTIONTIME: 7.977267
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1557 PRECURSORMZ: 307.1813
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1558 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1559 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1560 NUM PEAKS: 14
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1561 91.05441 199112.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1562 103.05439 73599.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1563 104.04984 64148.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1564 105.0702 917430.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1565 117.06997 181158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1566 119.0857 712865.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1567 121.10135 76811.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1568 130.02905 143777.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1569 131.08598 2116571.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1570 133.10155 485868.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1571 145.10149 85536.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1572 146.10915 4833104.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1573 147.05551 4215618.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1574 161.13255 3701806.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1575
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1576 FORMULA: C14H17NO2Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1577 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1578 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1579 NAME: Fenhexamid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1580 RETENTIONTIME: 6.679342
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1581 PRECURSORMZ: 302.0717
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1582 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1583 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1584 NUM PEAKS: 6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1585 95.01299 111399.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1586 97.10134 4001007.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1587 142.00574 470488.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1588 143.0134 1124724.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1589 177.98218 162637.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1590 302.0708 49250.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1591
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1592 FORMULA: C24H27N3O4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1593 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1594 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1595 NAME: Fenpyroximate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1596 RETENTIONTIME: 7.825895
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1597 PRECURSORMZ: 422.2081
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1598 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1599 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1600 NUM PEAKS: 90
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1601 91.04206 117996.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1602 91.05465 106024.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1603 92.0498 87696.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1604 93.05774 260654.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1605 94.04169 108699.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1606 95.04953 62385.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1607 95.06073 350683.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1608 96.06861 923552.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1609 104.04984 232471.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1610 106.06546 218843.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1611 107.02439 77423.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1612 107.04966 430579.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1613 109.04004 148437.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1614 110.0716 266167.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1615 111.05566 267693.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1616 112.06348 143921.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1617 113.07121 165810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1618 117.05774 475621.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1619 118.06553 207059.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1620 121.0638 98676.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1621 121.07632 211577.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1622 122.07175 1015735.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1623 123.05569 588803.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1624 124.05084 136544.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1625 129.05762 234973.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1626 130.06567 646047.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1627 131.06102 64470.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1628 131.07352 162979.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1629 132.04504 124496.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1630 132.06866 204911.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1631 135.04469 1656891.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1632 136.05099 82782.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1633 137.05911 95506.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1634 138.06671 5569473.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1635 139.0507 103856.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1636 141.05769 86459.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1637 142.05298 63910.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1638 142.0657 196862.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1639 143.06068 233150.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1640 143.07355 214610.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1641 144.0448 925002.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1642 144.06847 64229.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1643 144.08099 258802.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1644 145.0527 116335.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1645 145.06537 86828.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1646 145.07661 796518.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1647 146.06033 143788.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1648 146.08401 227348.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1649 155.04976 327910.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1650 155.06065 279544.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1651 156.06877 75745.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1652 157.05295 67758.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1653 157.0614 631707.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1654 157.0762 440265.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1655 158.06033 63862.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1656 158.08434 1135306.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1657 159.06828 1092296.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1658 159.09198 191557.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1659 160.07613 68662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1660 169.07677 248853.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1661 170.06049 475510.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1662 170.0843 65958.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1663 171.05582 124587.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1664 171.09184 186652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1665 172.07626 63322.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1666 172.08717 90299.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1667 173.07166 613565.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1668 174.07939 186701.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1669 174.10281 124566.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1670 183.0555 60224.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1671 185.0714 282332.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1672 186.05576 83272.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1673 186.10275 837404.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1674 187.08711 307005.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1675 187.11115 179545.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1676 188.08208 68182.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1677 188.09454 56664.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1678 189.10245 172485.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1679 197.0715 161124.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1680 198.07919 265419.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1681 199.07426 148687.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1682 199.08707 368116.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1683 200.08215 638373.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1684 201.10309 239504.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1685 202.09793 790032.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1686 214.09836 4878472.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1687 215.10576 1548726.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1688 230.09335 285190.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1689 231.10078 772223.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1690 366.14682 271014.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1691
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1692 FORMULA: C9H6N3OF3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1693 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1694 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1695 NAME: Flonicamid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1696 RETENTIONTIME: 1.603478
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1697 PRECURSORMZ: 230.054
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1698 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1699 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1700 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1701 98.04052 1513015.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1702 101.01998 130358.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1703 126.03515 270418.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1704 128.0309 1130827.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1705 129.03873 894240.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1706 134.04785 187862.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1707 135.03584 106359.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1708 136.04333 85854.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1709 140.03102 72212.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1710 144.02579 576288.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1711 146.02148 1739781.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1712 147.02966 723489.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1713 148.03722 5717933.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1714 153.04604 178370.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1715 155.04199 750642.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1716 156.02586 62411.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1717 164.03217 431199.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1718 174.01654 1374723.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1719 175.0481 152887.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1720 176.0318 1685318.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1721 183.0369 1014810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1722 203.04269 761411.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1723
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1724 FORMULA: C21H16N4O5ClF
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1725 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1726 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1727 NAME: Fluoxastrobin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1728 RETENTIONTIME: 7.061409
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1729 PRECURSORMZ: 459.0882
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1730 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1731 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1732 NUM PEAKS: 85
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1733 90.03426 262008.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1734 93.0339 81235.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1735 95.04953 126363.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1736 104.04984 132927.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1737 105.04505 96553.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1738 106.02911 119639.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1739 111.04436 132213.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1740 118.05279 109270.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1741 119.03689 143696.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1742 120.04464 501451.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1743 122.04026 150489.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1744 129.01041 330269.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1745 129.04503 292390.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1746 130.02905 326516.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1747 130.04021 649052.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1748 132.04463 118853.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1749 134.04034 93930.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1750 138.011 2207225.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1751 138.99483 184424.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1752 139.00627 992155.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1753 144.03229 102927.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1754 145.04005 956703.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1755 150.03526 1178492.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1756 151.00616 106379.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1757 154.04019 85122.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1758 157.04028 88434.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1759 159.036 96008.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1760 160.02722 141264.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1761 160.04352 103289.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1762 161.03488 323066.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1763 162.03548 140596.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1764 162.04268 203634.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1765 162.0554 114359.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1766 163.00633 194952.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1767 163.05046 168483.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1768 164.03441 768408.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1769 168.00159 464518.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1770 170.03549 190735.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1771 175.03069 390492.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1772 176.0387 156295.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1773 178.02998 1064297.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1774 179.00104 397625.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1775 183.99632 171687.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1776 188.03847 7591765.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1777 188.05785 92062.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1778 189.04591 91704.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1779 190.04181 129380.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1780 191.02574 180590.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1781 202.04166 121581.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1782 205.04123 347646.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1783 205.06093 241613.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1784 214.00674 231209.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1785 214.0412 97985.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1786 216.05721 78878.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1787 218.03612 98376.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1788 223.00748 102872.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1789 223.9912 115573.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1790 225.05933 90781.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1791 228.04449 112509.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1792 229.02827 136264.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1793 230.03622 724472.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1794 240.04454 142077.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1795 241.05283 128789.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1796 244.05261 88750.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1797 246.0312 274116.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1798 251.06181 83031.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1799 252.06947 77596.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1800 255.03178 103007.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1801 257.04721 91609.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1802 266.01273 226670.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1803 274.06223 117152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1804 277.06509 115503.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1805 278.07285 221625.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1806 279.05734 137186.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1807 280.06467 243149.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1808 304.0531 127719.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1809 306.0679 3047910.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1810 313.04251 87383.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1811 315.03339 303129.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1812 318.06851 266951.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1813 331.0636 304000.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1814 340.02972 444209.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1815 342.04449 118004.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1816 367.03973 216560.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1817 383.03424 104628.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1818
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1819 FORMULA: C17H16NO2F3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1820 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1821 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1822 NAME: Flutolanil
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1823 RETENTIONTIME: 6.193638
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1824 PRECURSORMZ: 324.1214
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1825 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1826 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1827 NUM PEAKS: 12
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1828 111.04436 4020810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1829 121.03985 3392917.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1830 130.02905 2402830.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1831 145.02599 877135.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1832 166.06538 168609.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1833 173.02094 3306207.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1834 194.0601 203214.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1835 214.06641 383897.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1836 222.05511 217155.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1837 242.05533 161728.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1838 242.06139 15929322.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1839 262.06796 878870.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1840
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1841 FORMULA: C17H19NO4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1842 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1843 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1844 NAME: Furalaxyl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1845 RETENTIONTIME: 6.193638
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1846 PRECURSORMZ: 302.1392
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1847 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1848 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1849 NUM PEAKS: 1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1850 95.01299 22120298.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1851
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1852 FORMULA: C14H14N2OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1853 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1854 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1855 NAME: Imazalil
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1856 RETENTIONTIME: 3.913752
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1857 PRECURSORMZ: 297.0566
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1858 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1859 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1860 NUM PEAKS: 17
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1861 102.04659 83349.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1862 109.0761 370634.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1863 122.99966 169161.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1864 129.07021 173674.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1865 137.01562 175055.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1866 138.02319 151710.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1867 141.0703 676682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1868 149.01559 103927.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1869 150.02344 201572.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1870 158.97626 8128112.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1871 164.03893 173925.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1872 172.99223 1736974.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1873 175.03131 122074.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1874 176.0387 901695.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1875 186.97179 139839.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1876 200.98682 142186.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1877 255.00883 411510.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1878
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1879 FORMULA: C9H10N5O2Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1880 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1881 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1882 NAME: Imidacloprid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1883 RETENTIONTIME: 3.079668
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1884 PRECURSORMZ: 256.0602
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1885 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1886 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1887 NUM PEAKS: 36
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1888 99.05553 45726.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1889 105.04505 49039.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1890 106.06546 54345.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1891 107.06065 64812.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1892 113.00283 42520.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1893 119.04804 44604.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1894 119.06059 69901.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1895 120.05593 48869.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1896 126.01085 269914.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1897 127.01869 53555.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1898 128.02625 263416.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1899 131.06062 65155.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1900 132.05562 39478.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1901 133.06364 158210.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1902 133.076 126641.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1903 134.07159 138270.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1904 141.02173 133666.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1905 146.05891 66316.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1906 146.0717 317182.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1907 147.06651 418911.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1908 148.08702 165957.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1909 158.07153 211685.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1910 159.06667 39062.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1911 159.07906 265140.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1912 166.01717 43422.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1913 167.03738 137027.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1914 173.08266 507123.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1915 174.09048 481291.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1916 175.09782 2784924.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1917 180.03256 49532.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1918 181.02791 160573.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1919 191.09306 100802.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1920 194.04849 73037.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1921 208.05171 91411.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1922 209.05724 1316587.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1923 209.05885 3531093.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1924
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1925 FORMULA: C23H22NO4Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1926 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1927 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1928 NAME: Mandipropamid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1929 RETENTIONTIME: 6.964275
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1930 PRECURSORMZ: 412.1314
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1931 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1932 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1933 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1934 204.10207 530532.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1935 328.11053 16472820.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1936 356.10495 7175862.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1937 412.04471 215694.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1938 412.13226 2828841.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1939
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1940 FORMULA: C14H13N3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1941 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1942 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1943 NAME: Mepanipyrim
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1944 RETENTIONTIME: 6.936112
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1945 PRECURSORMZ: 224.1185
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1946 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1947 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1948 NUM PEAKS: 102
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1949 89.03882 517274.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1950 90.03403 2492239.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1951 91.04182 279822.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1952 91.05441 689902.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1953 92.0498 1156467.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1954 93.0575 1581720.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1955 94.04169 907699.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1956 94.06544 4247548.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1957 95.04928 7648441.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1958 96.04461 836099.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1959 104.04984 9863130.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1960 105.04505 4799141.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1961 105.05748 280682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1962 106.05285 481449.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1963 106.06546 21345988.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1964 107.06065 1636304.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1965 107.07314 792818.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1966 115.05464 3041902.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1967 116.0497 1214108.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1968 117.0574 623912.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1969 118.05279 352181.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1970 118.06553 2089902.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1971 119.06059 6016274.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1972 121.07632 4716914.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1973 122.06017 546355.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1974 124.07606 570495.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1975 128.04958 351035.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1976 128.06239 268794.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1977 129.04503 342815.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1978 129.05762 223642.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1979 129.07021 809903.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1980 130.04021 505143.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1981 130.05293 226615.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1982 130.06528 631733.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1983 131.06062 6745162.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1984 132.06825 1922003.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1985 139.05466 759207.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1986 139.08679 888214.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1987 140.0497 2660486.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1988 141.05769 432867.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1989 142.06525 4535240.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1990 143.06068 6551342.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1991 143.07307 827696.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1992 146.06033 239932.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1993 146.0717 582762.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1994 147.07945 1981982.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1995 149.07127 472905.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1996 152.06248 907036.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1997 153.06992 747588.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1998 154.06532 634466.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	1999 155.06065 477098.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2000 156.06825 343240.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2001 156.08081 938982.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2002 157.0762 689823.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2003 157.08888 215289.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2004 158.08434 241364.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2005 159.09198 967686.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2006 160.07613 1334605.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2007 165.05745 274138.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2008 166.06538 1659086.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2009 167.06058 783829.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2010 167.07332 1978108.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2011 168.06824 5290008.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2012 168.08109 220063.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2013 169.06438 286507.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2014 169.07619 592750.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2015 170.0968 225887.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2016 178.06569 490619.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2017 179.06082 272597.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2018 179.07304 1573880.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2019 180.08119 4503916.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2020 181.07629 4276790.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2021 181.08871 558180.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2022 182.08427 8178091.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2023 182.09682 299282.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2024 183.07944 1118528.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2025 183.09206 3652070.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2026 184.08746 3084619.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2027 184.09952 366883.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2028 185.0714 378043.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2029 190.06572 671329.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2030 191.06046 256444.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2031 191.07323 287427.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2032 192.06876 5238670.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2033 193.07642 340761.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2034 194.0717 335171.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2035 194.08405 455850.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2036 195.09225 1664615.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2037 196.0995 1003846.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2038 197.09528 319437.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2039 197.10789 734438.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2040 205.07669 7605397.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2041 206.08452 12079029.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2042 207.0798 627312.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2043 207.0918 5892684.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2044 208.08714 6327165.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2045 208.09923 895713.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2046 209.09537 7619410.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2047 221.09558 532629.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2048 222.10307 5281894.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2049 223.11121 2054946.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2050 224.119 13923746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2051
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2052 FORMULA: C7H14N4O3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2053 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2054 SMILES: CN=C(NN(=O)=O)NCC1COCC1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2055 NAME: Dinotefuran
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2056 RETENTIONTIME: 1.502809
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2057 PRECURSORMZ: 203.1141
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2058 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2059 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2060 NUM PEAKS: 13
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2061 87.07939 212770.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2062 100.0872 147065.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2063 101.09495 14292.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2064 112.08705 103076.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2065 113.09509 522233.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2066 114.10273 536607.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2067 127.11057 50518.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2068 128.11842 69200.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2069 129.08989 1106553.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2070 129.12611 128089.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2071 157.12112 345152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2072 173.11627 46987.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2073 203.11415 399504.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2074
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2075 FORMULA: C24H16N4O2F6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2076 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2077 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2078 NAME: Metaflumizone
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2079 RETENTIONTIME: 7.19479
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2080 PRECURSORMZ: 507.1251
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2081 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2082 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2083 NUM PEAKS: 33
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2084 89.03882 112603.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2085 92.0498 159120.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2086 93.0575 96261.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2087 110.06045 137716.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2088 116.0497 2188022.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2089 128.04958 82526.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2090 159.04192 72170.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2091 171.04201 111513.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2092 174.05289 67561.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2093 176.03242 127986.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2094 177.04025 145377.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2095 178.04784 4081576.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2096 190.065 44917.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2097 191.07323 105042.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2098 204.02695 55744.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2099 218.08452 1276107.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2100 219.09236 53088.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2101 220.05638 42611.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2102 221.05324 329863.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2103 233.05731 59799.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2104 238.06659 64784.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2105 240.06252 447032.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2106 245.07082 222043.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2107 247.06392 273902.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2108 247.06705 1414469.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2109 260.0687 348712.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2110 267.07318 2569566.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2111 273.06406 84541.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2112 273.07617 78440.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2113 286.07156 143270.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2114 287.07932 2154516.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2115 288.0871 575359.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2116 330.08609 207585.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2117
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2118 FORMULA: C15H21NO4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2119 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2120 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2121 NAME: Metalaxyl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2122 RETENTIONTIME: 5.550616
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2123 PRECURSORMZ: 280.1547
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2124 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2125 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2126 NUM PEAKS: 24
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2127 91.05441 81742.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2128 105.06991 446715.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2129 117.0574 85397.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2130 118.06519 181419.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2131 119.0857 203031.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2132 120.081 86040.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2133 121.08883 168662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2134 130.06528 459915.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2135 131.0731 294735.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2136 132.08089 1629425.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2137 133.08878 1053467.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2138 134.09659 2186175.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2139 144.08099 390383.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2140 145.08881 2412390.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2141 146.09682 729220.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2142 147.10434 123350.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2143 148.11217 2255058.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2144 150.09151 223495.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2145 158.0966 105904.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2146 160.11201 8036024.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2147 162.12798 1800051.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2148 164.10716 139534.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2149 192.13879 614235.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2150 220.13348 136200.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2151
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2152 FORMULA: C15H17N4Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2153 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2154 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2155 NAME: Myclobutanil
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2156 RETENTIONTIME: 6.259462
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2157 PRECURSORMZ: 289.1221
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2158 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2159 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2160 NUM PEAKS: 18
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2161 89.03882 46919.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2162 98.99973 29039.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2163 115.05431 84807.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2164 116.06212 93918.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2165 125.01308 47666.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2166 125.01533 2894088.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2167 128.04958 45144.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2168 130.06528 66651.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2169 137.01562 42490.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2170 149.01559 47429.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2171 150.0106 90969.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2172 151.03107 531808.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2173 153.06992 32172.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2174 164.02652 222253.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2175 166.04185 38601.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2176 168.09337 31175.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2177 175.03131 41390.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2178 178.04208 93247.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2179
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2180 FORMULA: C14H18N2O4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2181 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2182 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2183 NAME: Oxadixyl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2184 RETENTIONTIME: 4.402048
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2185 PRECURSORMZ: 279.1344
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2186 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2187 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2188 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2189 102.05517 448694.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2190 132.08089 139055.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2191 133.08878 111093.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2192 160.07613 49235.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2193 192.10234 94587.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2194 219.11325 4470994.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2195 279.13367 216370.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2196
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2197 FORMULA: C15H16N3O2Cl3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2198 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2199 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2200 NAME: Prochloraz
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2201 RETENTIONTIME: 7.089308
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2202 PRECURSORMZ: 376.0388
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2203 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2204 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2205 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2206 265.95453 2776909.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2207 308.00125 53942956.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2208 376.03964 3704219.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2209
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2210 FORMULA: C10H19N5O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2211 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2212 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2213 NAME: Prometon_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2214 RETENTIONTIME: 3.185351
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2215 PRECURSORMZ: 226.1667
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2216 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2217 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2218 NUM PEAKS: 16
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2219 85.05116 254026.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2220 85.07622 1248785.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2221 86.03511 7693232.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2222 96.05572 2045746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2223 97.03974 2776563.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2224 99.06665 1175450.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2225 100.05066 9824308.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2226 110.04619 496522.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2227 110.0716 223643.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2228 114.06643 4195590.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2229 128.08185 3094754.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2230 138.07761 783556.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2231 142.07253 19868644.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2232 168.0881 278497.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2233 170.10394 12296676.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2234 184.11964 1858746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2235
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2236 FORMULA: C10H19N5O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2237 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2238 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2239 NAME: Prometon_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2240 RETENTIONTIME: 3.288845
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2241 PRECURSORMZ: 226.1663
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2242 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2243 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2244 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2245 85.05116 203704.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2246 85.07622 1795800.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2247 86.03511 4360152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2248 96.05572 3992152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2249 97.03974 3296917.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2250 99.06665 489124.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2251 100.05066 11922340.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2252 110.04619 311190.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2253 110.0716 143123.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2254 113.0825 152844.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2255 114.06643 5615716.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2256 125.0461 170765.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2257 127.09787 169642.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2258 128.08185 4145137.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2259 129.0112 167032.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2260 138.07761 953215.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2261 142.07253 8482599.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2262 153.07755 208846.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2263 168.0881 343548.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2264 170.10394 12923365.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2265 184.11964 137608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2266 226.16615 243943.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2267
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2268 FORMULA: C10H11N5O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2269 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2270 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2271 NAME: Pymetrozine
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2272 RETENTIONTIME: 1.373368
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2273 PRECURSORMZ: 218.1044
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2274 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2275 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2276 NUM PEAKS: 2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2277 96.04461 383408.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2278 105.04506 15166273.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2279
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2280 FORMULA: C13H15NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2281 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2282 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2283 NAME: Pyracarbolid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2284 RETENTIONTIME: 4.72542
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2285 PRECURSORMZ: 218.1182
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2286 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2287 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2288 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2289 92.04956 222486.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2290 95.04928 559755.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2291 97.02871 2882447.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2292 97.06489 514552.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2293 105.04477 279492.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2294 107.04936 2653095.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2295 115.03907 949155.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2296 125.05998 14590636.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2297
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2298 FORMULA: C12H13N3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2299 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2300 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2301 NAME: Pyrimethanil
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2302 RETENTIONTIME: 5.598423
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2303 PRECURSORMZ: 200.1186
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2304 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2305 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2306 NUM PEAKS: 43
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2307 91.05441 269141.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2308 92.0498 1006183.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2309 93.0575 798806.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2310 95.04928 864623.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2311 105.04505 538940.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2312 107.06065 6806452.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2313 115.05464 651194.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2314 116.0497 189558.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2315 117.0574 297627.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2316 118.05279 470418.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2317 118.06519 941436.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2318 119.06059 1862863.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2319 125.07124 2658422.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2320 129.07021 373721.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2321 131.06062 510426.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2322 132.08089 163131.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2323 139.05466 180641.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2324 140.0497 332716.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2325 141.05769 348146.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2326 142.06525 1271766.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2327 143.06068 2584610.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2328 143.07307 643411.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2329 154.06532 150404.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2330 155.06065 150810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2331 156.06825 358067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2332 156.08081 843618.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2333 158.08434 235445.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2334 158.0966 250403.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2335 159.09198 1057014.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2336 166.06538 692025.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2337 167.07332 885398.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2338 168.06824 6869380.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2339 173.10771 334158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2340 173.50755 193551.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2341 181.07629 2021052.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2342 182.08163 471666.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2343 182.08427 7602030.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2344 183.09206 8147444.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2345 184.08679 232595.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2346 185.09505 609372.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2347 198.10313 499158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2348 199.11044 154902.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2349 200.11862 13352280.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2350
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2351 FORMULA: C20H19NO3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2352 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2353 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2354 NAME: Pyriproxyfen
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2355 RETENTIONTIME: 7.483148
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2356 PRECURSORMZ: 322.1441
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2357 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2358 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2359 NUM PEAKS: 21
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2360 91.05465 1995486.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2361 95.04953 2794273.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2362 96.04461 57722984.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2363 105.04505 1487815.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2364 105.0702 2138528.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2365 115.05464 2166874.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2366 119.04944 13154060.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2367 128.06239 2789226.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2368 129.07021 18069414.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2369 133.06531 2250340.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2370 134.07285 5007071.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2371 141.07028 4802710.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2372 153.07043 578116.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2373 155.06065 601649.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2374 157.06509 3489445.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2375 170.07298 834102.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2376 181.06517 682957.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2377 185.05991 13867037.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2378 186.06801 602621.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2379 194.07315 653455.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2380 199.07576 804230.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2381
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2382 FORMULA: C17H19NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2383 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2384 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2385 NAME: Mepronil
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2386 RETENTIONTIME: 6.63015
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2387 PRECURSORMZ: 270.1492
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2388 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2389 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2390 NUM PEAKS: 8
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2391 91.05465 4818532.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2392 107.04936 268915.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2393 108.0449 232011.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2394 109.0651 1528311.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2395 111.04436 177960.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2396 119.04979 16405699.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2397 119.0592 353581.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2398 136.03949 166339.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2399
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2400 FORMULA: C18H35NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2401 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2402 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2403 NAME: Spiroxamine_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2404 RETENTIONTIME: 4.628222
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2405 PRECURSORMZ: 298.2747
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2406 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2407 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2408 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2409 100.11219 10585697.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2410 102.09142 415934.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2411 126.12786 286929.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2412 144.13857 10367585.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2413
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2414 FORMULA: C18H24N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2415 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2416 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2417 NAME: Tebufenpyrad
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2418 RETENTIONTIME: 7.223254
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2419 PRECURSORMZ: 334.1692
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2420 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2421 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2422 NUM PEAKS: 17
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2423 90.01088 682936.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2424 91.05441 694638.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2425 105.0702 2926113.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2426 107.08593 482744.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2427 117.02172 17275010.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2428 117.06997 1213127.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2429 119.0857 4335492.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2430 130.02946 271510.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2431 131.08559 179894.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2432 132.09351 4494128.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2433 145.05318 15327344.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2434 145.10149 224176.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2435 147.11679 8812113.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2436 171.03239 1499108.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2437 188.05853 456215.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2438 200.05861 396435.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2439 334.16821 933979.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2440
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2441 FORMULA: C10H19N5O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2442 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2443 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2444 NAME: Terbumeton_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2445 RETENTIONTIME: 3.185351
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2446 PRECURSORMZ: 226.1667
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2447 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2448 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2449 NUM PEAKS: 16
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2450 85.05116 254026.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2451 85.07622 1248785.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2452 86.03511 7693232.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2453 96.05572 2045746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2454 97.03974 2776563.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2455 99.06665 1175450.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2456 100.05066 9824308.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2457 110.04619 496522.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2458 110.0716 223643.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2459 114.06643 4195590.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2460 128.08185 3094754.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2461 138.07761 783556.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2462 142.07253 19868644.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2463 168.0881 278497.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2464 170.10394 12296676.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2465 184.11964 1858746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2466
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2467 FORMULA: C10H19N5O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2468 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2469 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2470 NAME: Terbumeton_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2471 RETENTIONTIME: 3.288845
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2472 PRECURSORMZ: 226.1663
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2473 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2474 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2475 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2476 85.05116 203704.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2477 85.07622 1795800.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2478 86.03511 4360152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2479 96.05572 3992152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2480 97.03974 3296917.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2481 99.06665 489124.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2482 100.05066 11922340.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2483 110.04619 311190.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2484 110.0716 143123.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2485 113.0825 152844.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2486 114.06643 5615716.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2487 125.0461 170765.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2488 127.09787 169642.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2489 128.08185 4145137.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2490 129.0112 167032.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2491 138.07761 953215.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2492 142.07253 8482599.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2493 153.07755 208846.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2494 168.0881 343548.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2495 170.10394 12923365.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2496 184.11964 137608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2497 226.16615 243943.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2498
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2499 FORMULA: C14H16N3O2Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2500 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2501 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2502 NAME: Triadimefon
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2503 RETENTIONTIME: 6.495691
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2504 PRECURSORMZ: 294.101
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2505 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2506 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2507 NUM PEAKS: 34
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2508 91.05441 220380.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2509 93.03366 110759.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2510 94.04145 226678.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2511 95.04928 293143.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2512 98.99973 2161492.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2513 103.03109 47635.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2514 105.04505 158971.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2515 107.04936 77343.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2516 109.0651 56624.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2517 110.03504 91263.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2518 110.99978 78358.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2519 111.04436 239293.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2520 113.0154 1133437.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2521 119.04944 129126.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2522 119.06059 60561.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2523 120.05734 170448.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2524 121.03985 123630.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2525 125.01533 88037.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2526 126.99488 4331208.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2527 127.03099 234800.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2528 129.01041 2984985.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2529 133.10155 53571.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2530 137.01562 52817.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2531 139.00583 1903109.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2532 141.0105 4051184.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2533 146.07265 75724.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2534 147.08089 154110.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2535 155.02592 1609516.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2536 159.02092 270169.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2537 161.09631 105167.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2538 173.50877 58953.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2539 175.07544 124355.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2540 190.09877 46793.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2541 197.073 124633.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2542
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2543 FORMULA: C20H19N2O4F3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2544 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2545 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2546 NAME: Trifloxystrobin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2547 RETENTIONTIME: 7.117416
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2548 PRECURSORMZ: 409.1378
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2549 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2550 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2551 NUM PEAKS: 20
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2552 89.03905 311273.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2553 91.05465 552137.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2554 105.07049 281496.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2555 116.05004 3644672.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2556 117.05774 1059431.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2557 118.06553 996646.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2558 119.04944 261371.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2559 130.06567 752094.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2560 131.07352 3968814.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2561 132.04504 549533.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2562 132.08128 1313192.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2563 134.06033 476020.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2564 145.02644 9201794.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2565 146.06033 1786913.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2566 147.06844 435652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2567 161.0475 625467.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2568 163.03706 449951.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2569 173.03255 3885334.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2570 186.05302 16153518.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2571 206.08214 362046.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2572
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2573 FORMULA: C14H16Cl3NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2574 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2575 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2576 NAME: Zoxamide
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2577 RETENTIONTIME: 7.042906
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2578 PRECURSORMZ: 336.0327
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2579 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2580 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2581 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2582 122.99966 189624.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2583 158.97681 2350836.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2584 160.99211 84080.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2585 176.98717 132424.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2586 186.97179 7551578.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2587 186.98138 1310863.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2588 203.99802 105210.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2589
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2590 FORMULA: C15H8NOCl2F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2591 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2592 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2593 NAME: Quinoxyfen
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2594 RETENTIONTIME: 7.693292
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2595 PRECURSORMZ: 308.0046
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2596 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2597 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2598 NUM PEAKS: 28
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2599 113.04024 951160.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2600 123.00003 519051.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2601 123.03591 2234640.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2602 133.05254 505534.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2603 150.01109 1173838.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2604 162.01112 4388227.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2605 168.02145 1536952.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2606 178.01723 957090.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2607 183.97221 586345.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2608 184.97952 1042789.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2609 196.98022 34758736.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2610 209.06372 991608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2611 210.0717 743797.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2612 212.97452 543051.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2613 213.98238 16892596.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2614 217.02182 350576.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2615 219.02536 368183.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2616 225.03487 908834.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2617 237.05934 2476225.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2618 238.06659 390133.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2619 244.03317 3467599.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2620 245.04095 5069296.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2621 253.02917 653474.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2622 254.03786 417640.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2623 272.02798 14312807.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2624 280.00934 1380984.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2625 287.99789 1053238.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2626 308.00415 16622164.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2627
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2628 FORMULA: C23H22O6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2629 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2630 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2631 NAME: Rotenone
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2632 RETENTIONTIME: 7.674882
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2633 PRECURSORMZ: 395.1498
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2634 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2635 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2636 NUM PEAKS: 118
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2637 91.05441 20240.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2638 94.04169 8976.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2639 95.04953 15733.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2640 96.05724 5644.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2641 103.05439 9409.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2642 105.04505 12948.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2643 105.0702 18947.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2644 107.04936 14407.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2645 108.05726 28276.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2646 109.0651 27746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2647 115.05464 7748.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2648 118.04178 6690.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2649 119.04944 11358.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2650 119.0857 16350.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2651 121.06523 31422.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2652 122.03665 11422.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2653 123.04434 5563.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2654 124.05232 66924.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2655 125.05998 10770.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2656 128.06239 12472.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2657 129.07021 21798.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2658 131.04935 9618.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2659 132.05725 6374.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2660 133.02864 9569.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2661 133.06488 59218.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2662 135.04427 48791.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2663 135.08092 12734.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2664 136.05228 31669.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2665 137.05997 22461.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2666 139.07579 190263.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2667 141.07028 6275.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2668 142.07797 14608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2669 143.08594 13615.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2670 144.05733 5067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2671 145.0649 8486.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2672 147.04451 61525.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2673 147.08089 94625.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2674 148.0522 39063.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2675 149.02341 19610.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2676 149.06003 21143.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2677 150.06783 16274.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2678 151.03905 10391.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2679 151.07541 203001.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2680 152.04688 7942.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2681 152.06248 13044.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2682 153.05467 9160.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2683 155.0705 50109.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2684 155.08604 5247.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2685 157.06509 11481.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2686 157.10156 7250.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2687 159.0446 58047.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2688 160.05222 12860.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2689 161.02338 80194.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2690 161.0601 108267.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2691 161.09631 10911.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2692 162.0676 99660.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2693 163.03929 24087.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2694 163.07561 12092.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2695 164.04738 8000.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2696 165.05518 11042.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2697 165.06599 31937.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2698 165.09103 67666.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2699 167.03391 16070.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2700 167.07042 68033.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2701 167.08607 14650.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2702 169.06497 20549.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2703 170.07298 47466.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2704 171.0444 8000.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2705 171.08104 35499.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2706 173.06004 17137.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2707 174.06767 6932.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2708 175.03938 17059.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2709 175.07544 21766.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2710 176.04684 21189.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2711 177.05479 232262.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2712 178.05867 5911.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2713 178.0625 25475.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2714 179.07047 162479.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2715 181.04948 12121.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2716 183.08076 4979.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2717 185.05991 48654.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2718 185.09641 26209.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2719 187.03905 10827.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2720 188.04747 5292.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2721 189.05499 13091.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2722 189.09126 53174.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2723 191.07039 460509.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2724 192.07661 134602.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2725 192.07805 420800.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2726 193.04977 5384.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2727 193.0865 52606.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2728 195.08057 343831.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2729 197.05963 10859.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2730 198.06796 244073.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2731 199.07576 11375.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2732 201.09085 5454.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2733 203.07065 271508.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2734 205.0499 11121.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2735 211.07547 11767.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2736 213.05545 8031.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2737 213.09134 496635.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2738 219.06538 18652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2739 220.07301 15899.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2740 223.07542 20667.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2741 226.06303 9493.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2742 229.08595 8069.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2743 241.08595 34858.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2744 309.07611 9652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2745 319.09708 7916.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2746 321.11215 19786.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2747 331.09756 10399.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2748 333.11328 6140.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2749 334.08463 6723.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2750 335.12769 6532.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2751 337.1073 11225.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2752 347.091 7782.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2753 349.10764 9303.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2754 377.13797 5836.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2755
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2756 FORMULA: C10H19N5O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2757 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2758 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2759 NAME: Secbumeton_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2760 RETENTIONTIME: 3.185351
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2761 PRECURSORMZ: 226.1667
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2762 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2763 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2764 NUM PEAKS: 16
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2765 85.05116 254026.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2766 85.07622 1248785.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2767 86.03511 7693232.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2768 96.05572 2045746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2769 97.03974 2776563.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2770 99.06665 1175450.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2771 100.05066 9824308.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2772 110.04619 496522.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2773 110.0716 223643.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2774 114.06643 4195590.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2775 128.08185 3094754.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2776 138.07761 783556.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2777 142.07253 19868644.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2778 168.0881 278497.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2779 170.10394 12296676.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2780 184.11964 1858746.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2781
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2782 FORMULA: C10H19N5O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2783 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2784 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2785 NAME: Secbumeton_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2786 RETENTIONTIME: 3.288845
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2787 PRECURSORMZ: 226.1663
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2788 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2789 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2790 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2791 85.05116 203704.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2792 85.07622 1795800.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2793 86.03511 4360152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2794 96.05572 3992152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2795 97.03974 3296917.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2796 99.06665 489124.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2797 100.05066 11922340.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2798 110.04619 311190.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2799 110.0716 143123.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2800 113.0825 152844.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2801 114.06643 5615716.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2802 125.0461 170765.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2803 127.09787 169642.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2804 128.08185 4145137.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2805 129.0112 167032.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2806 138.07761 953215.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2807 142.07253 8482599.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2808 153.07755 208846.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2809 168.0881 343548.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2810 170.10394 12923365.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2811 184.11964 137608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2812 226.16615 243943.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2813
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2814 FORMULA: C18H35NO2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2815 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2816 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2817 NAME: Spiroxamine_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2818 RETENTIONTIME: 4.508498
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2819 PRECURSORMZ: 298.2746
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2820 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2821 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2822 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2823 100.11219 3396827.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2824 102.09142 137060.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2825 126.12786 85740.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2826 144.13857 3215019.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2827
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2828 FORMULA: C8H6N2OS2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2829 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2830 SMILES: CSC(=O)c1cccc2c1snn2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2831 NAME: Acibenzolar-S-methyl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2832 RETENTIONTIME: 7.209623
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2833 PRECURSORMZ: 210.9997
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2834 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2835 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2836 NUM PEAKS: 19
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2837 90.96726 85952.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2838 91.05441 657143.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2839 95.04928 118440.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2840 96.00319 401311.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2841 104.02592 176500.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2842 105.04505 89136.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2843 106.99528 418903.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2844 108.00302 780675.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2845 109.0107 470651.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2846 111.02646 108320.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2847 121.01091 958564.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2848 122.01855 285730.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2849 134.99037 663158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2850 135.99904 120240.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2851 136.00926 5947453.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2852 139.97499 2000969.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2853 152.98305 216362.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2854 167.97003 464522.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2855 210.99977 327401.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2856
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2857 FORMULA: C13H24N4O3S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2858 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2859 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2860 NAME: Bupirimate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2861 RETENTIONTIME: 6.076324
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2862 PRECURSORMZ: 317.1649
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2863 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2864 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2865 NUM PEAKS: 55
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2866 86.07153 235598.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2867 93.07003 108137.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2868 95.06072 255743.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2869 95.08585 244503.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2870 96.04461 1438629.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2871 96.08099 127976.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2872 97.03999 368735.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2873 98.06032 1406789.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2874 107.07314 137145.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2875 108.01175 7604676.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2876 109.0761 227922.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2877 110.06014 169356.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2878 110.0716 162792.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2879 110.09671 354193.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2880 120.081 147452.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2881 122.07138 411681.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2882 122.09673 123475.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2883 123.05569 195728.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2884 123.09197 115035.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2885 124.06344 181991.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2886 136.0872 149699.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2887 137.05867 120788.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2888 137.09485 160672.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2889 138.06628 1098460.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2890 138.09154 233604.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2891 138.10286 398553.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2892 139.07446 1057776.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2893 139.12334 148466.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2894 140.10709 5071826.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2895 148.08701 244501.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2896 150.10286 2737236.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2897 151.07442 131788.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2898 151.11079 210989.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2899 151.12326 149447.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2900 152.08211 600122.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2901 164.08234 442472.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2902 165.08989 1444691.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2903 165.10242 2298446.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2904 166.09755 10809536.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2905 167.10577 1006139.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2906 179.12965 335810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2907 180.11362 538952.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2908 180.14995 435438.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2909 182.12912 1149384.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2910 191.11787 124435.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2911 192.14951 246681.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2912 193.13402 1395706.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2913 194.12903 1925937.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2914 208.14435 1874942.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2915 209.17653 127377.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2916 210.15997 6891096.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2917 224.17574 413548.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2918 237.20732 1204267.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2919 262.08615 349666.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2920 272.10626 143082.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2921
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2922 FORMULA: C16H23N3OS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2923 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2924 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2925 NAME: Buprofezin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2926 RETENTIONTIME: 7.028851
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2927 PRECURSORMZ: 306.1638
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2928 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2929 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2930 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2931 86.06017 3955916.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2932 95.04928 722739.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2933 102.03746 765607.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2934 102.99629 1020337.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2935 106.06516 49438552.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2936 145.04333 786651.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2937 208.05412 1036458.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2938
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2939 FORMULA: C12H13NO2S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2940 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2941 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2942 NAME: Carboxin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2943 RETENTIONTIME: 5.514598
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2944 PRECURSORMZ: 236.0745
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2945 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2946 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2947 NUM PEAKS: 21
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2948 86.99005 83162.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2949 89.00569 35962.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2950 92.0498 113299.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2951 93.0575 2928372.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2952 94.06519 52720.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2953 95.04928 67153.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2954 99.02643 59993.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2955 104.04956 151593.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2956 105.04476 45581.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2957 115.02152 31967.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2958 120.04463 57401.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2959 124.02155 960327.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2960 128.04956 63924.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2961 132.04463 580531.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2962 138.03711 35055.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2963 143.01614 2499380.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2964 146.06033 163428.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2965 148.02174 69210.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2966 162.03714 126130.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2967 165.02444 140508.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2968 166.03207 97516.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2969
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2970 FORMULA: C17H26NO3ClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2971 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2972 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2973 NAME: Clethodim_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2974 RETENTIONTIME: 6.687163
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2975 PRECURSORMZ: 360.1401
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2976 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2977 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2978 NUM PEAKS: 93
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2979 89.0422 26517.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2980 91.05441 49957.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2981 92.04956 6055.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2982 93.0575 11783.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2983 93.07003 33788.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2984 94.06519 21009.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2985 95.04928 65958.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2986 95.0856 11343.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2987 96.04461 77264.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2988 98.06032 83926.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2989 103.05439 27407.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2990 105.04505 6981.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2991 105.07019 30263.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2992 106.06516 86354.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2993 107.04936 34964.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2994 107.08563 8621.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2995 108.0446 28107.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2996 108.08108 167346.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2997 109.0651 32723.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2998 110.06014 31720.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	2999 110.09671 12453.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3000 111.04435 12775.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3001 111.06791 6651.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3002 114.05498 7671.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3003 114.0916 11353.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3005 117.05739 8001.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3008 119.04944 18911.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3009 119.06059 9053.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3010 119.0857 23128.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3011 120.04463 7579.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3012 120.081 8457.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3013 121.06487 56724.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3014 122.06016 65198.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3015 122.09673 13384.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3016 123.04433 7289.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3017 124.03934 5264.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3018 124.07605 20748.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3019 127.02138 23658.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3020 128.06201 5671.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3021 129.07021 5839.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3022 131.0731 6698.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3023 131.08559 5362.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3024 132.08089 18560.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3025 133.06488 10377.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3026 133.10155 8105.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3027 134.06033 147188.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3028 134.09659 13221.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3029 135.08049 8346.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3030 136.03949 70010.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3031 136.07568 371565.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3032 136.11234 9112.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3033 137.05997 23108.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3034 138.05496 9422.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3035 138.09154 20890.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3036 144.08099 5145.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3037 145.0649 6292.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3038 146.06033 26112.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3039 146.09634 7672.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3040 147.04402 77322.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3041 147.08089 12959.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3042 148.0759 20412.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3043 149.04733 5916.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3044 149.06003 102646.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3045 150.05499 6525.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3046 150.09151 15556.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3047 150.12804 6161.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3048 152.07053 18217.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3049 158.04488 6800.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3050 160.07613 16467.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3051 160.11201 5212.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3052 161.0601 8950.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3053 161.09631 9597.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3054 162.0554 6952.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3055 162.0914 19731.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3056 163.06274 15231.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3057 164.07106 350022.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3058 164.10716 16374.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3059 166.08664 512799.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3060 166.12283 13211.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3061 167.09418 26398.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3062 173.50754 5344.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3063 178.08673 16500.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3064 178.12309 12987.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3065 180.08443 5978.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3066 180.10194 6844.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3067 190.1227 6425.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3068 192.10233 16067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3069 206.11787 6696.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3070 212.11047 16431.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3071 240.10542 8682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3072
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3073 FORMULA: C17H26NO3ClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3074 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3075 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3076 NAME: Clethodim_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3077 RETENTIONTIME: 7.277172
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3078 PRECURSORMZ: 360.1401
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3079 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3080 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3081 NUM PEAKS: 68
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3082 89.0422 98238.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3083 91.05464 171745.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3084 93.05774 38046.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3085 93.07027 136004.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3086 94.06543 101832.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3087 95.04953 227900.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3088 95.08585 40869.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3089 96.04461 221541.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3090 98.06032 529705.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3091 103.05467 131256.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3092 105.07019 127685.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3093 106.06545 53082.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3094 107.04936 136788.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3095 107.08593 34588.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3096 108.0446 65341.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3097 108.08108 867554.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3098 109.0651 107578.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3099 110.06044 125419.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3100 111.04435 54097.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3101 111.06822 33474.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3102 114.0916 70953.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3103 117.07031 92684.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3104 118.06553 57896.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3105 119.04944 77592.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3106 119.0857 101869.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3107 120.081 44118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3108 121.06523 314215.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3109 122.06016 283363.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3110 122.09673 58647.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3111 124.07605 110151.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3112 127.02138 108658.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3113 133.10155 43604.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3114 134.06033 82368.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3115 134.09659 80374.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3116 135.08092 42793.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3117 136.07613 1946515.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3118 136.11234 44348.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3119 137.05997 112159.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3120 138.05539 37327.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3121 138.09154 107538.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3122 146.06033 140672.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3123 146.09682 35123.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3124 147.04449 448482.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3125 147.06795 32058.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3126 147.08089 54066.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3127 148.0759 90038.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3128 149.06003 660024.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3129 150.09151 33706.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3130 152.07103 119001.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3131 161.0601 46725.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3132 161.09631 40686.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3133 162.09196 88271.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3134 163.06331 31458.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3135 164.07106 2144695.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3136 164.10716 97593.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3137 166.08664 3133889.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3138 166.12283 98337.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3139 167.09418 133413.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3140 177.07883 31343.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3141 178.12309 80524.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3142 179.09425 38320.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3143 180.10194 39682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3144 190.1227 42958.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3145 192.10233 115116.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3146 206.11787 45529.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3147 208.13387 37258.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3148 212.11047 103531.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3149 240.10542 87328.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3150
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3151 FORMULA: C6H8N5O2ClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3152 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3153 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3154 NAME: Clothianidin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3155 RETENTIONTIME: 2.767634
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3156 PRECURSORMZ: 250.0162
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3157 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3158 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3159 NUM PEAKS: 12
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3160 113.01702 68898.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3161 131.96729 1556136.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3162 146.97801 24619.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3163 168.04659 701063.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3164 169.05435 2394222.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3165 172.98125 33776.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3166 174.9729 46060.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3167 203.01552 30320.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3168 204.02304 121736.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3169 206.01546 199604.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3170 220.01871 34828.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3171 250.01668 782407.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3172
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3173 FORMULA: C13H13N4O2ClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3174 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3175 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3176 NAME: Cyazofamid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3177 RETENTIONTIME: 6.824718
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3178 PRECURSORMZ: 325.0526
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3179 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3180 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3181 NUM PEAKS: 14
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3182 108.01175 7160721.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3183 216.03249 215458.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3184 217.0407 634975.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3185 218.0482 106134.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3186 225.11369 156877.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3187 226.12143 91884.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3188 233.06017 429313.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3189 251.07034 448093.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3190 251.10664 310661.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3191 261.09036 1553497.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3192 279.10236 522333.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3193 325.052 1817226.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3194 325.14325 121241.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3195 325.23611 85648.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3196
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3197 FORMULA: C13H9N4OCl2F3S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3198 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3199 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3200 NAME: Ethiprole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3201 RETENTIONTIME: 5.828761
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3202 PRECURSORMZ: 396.991
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3203 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3204 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3205 NUM PEAKS: 11
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3206 212.94865 522963.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3207 227.9595 466048.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3208 240.95441 720208.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3209 254.9706 13822754.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3210 263.97287 158454.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3211 271.93167 238242.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3212 288.95517 162603.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3213 288.96835 478467.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3214 315.97946 548987.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3215 323.93817 233169.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3216 350.94952 1933706.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3217
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3218 FORMULA: C13H18O5S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3219 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3220 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3221 NAME: Ethofumesate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3222 RETENTIONTIME: 6.01901
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3223 PRECURSORMZ: 287.0957
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3224 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3225 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3226 NUM PEAKS: 10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3227 121.06523 2086509.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3228 149.09618 158152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3229 161.0601 278315.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3230 162.0676 51729.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3231 163.07561 321436.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3232 179.07047 102226.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3233 241.05281 803837.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3234 259.06424 3450423.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3235 277.07498 105295.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3236 287.09497 1000737.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3237
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3238 FORMULA: C17H17N3OS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3239 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3240 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3241 NAME: Fenamidone
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3242 RETENTIONTIME: 6.626915
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3243 PRECURSORMZ: 312.1172
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3244 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3245 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3246 NUM PEAKS: 23
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3247 92.0498 32114948.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3248 103.05439 9639649.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3249 104.04984 654872.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3250 118.05279 339058.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3251 120.081 4707760.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3252 124.07605 564026.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3253 133.06364 333596.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3254 133.07642 2035568.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3255 134.07159 10042268.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3256 150.02492 4123380.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3257 158.07153 1565433.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3258 161.07108 557286.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3259 165.04834 2679578.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3260 170.09679 350930.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3261 194.09637 1767185.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3262 195.09152 465030.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3263 206.08372 504328.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3264 207.06779 429040.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3265 211.12321 535099.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3266 219.09235 850480.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3267 221.0947 1138537.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3268 236.11884 5452674.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3269 237.04855 688489.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3270
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3271 FORMULA: C12H4N4OCl2F6S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3272 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3273 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3274 NAME: Fipronil
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3275 RETENTIONTIME: 6.367518
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3276 PRECURSORMZ: 436.9474
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3277 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3278 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3279 NUM PEAKS: 44
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3280 85.96982 4313.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3281 113.00444 3712.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3282 113.98832 5133.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3283 139.99144 7362.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3284 212.94781 4882.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3285 221.00912 225249.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3286 227.95949 26131.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3287 228.96689 57334.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3288 229.97443 5477.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3289 238.95135 20431.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3290 239.95872 31698.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3291 240.95441 5173.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3292 246.00426 38514.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3293 246.98785 4361.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3294 249.00337 20177.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3295 252.98164 49955.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3296 253.96179 34002.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3297 254.96948 369569.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3298 255.97771 5120.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3299 256.92007 8581.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3300 257.96988 6310.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3301 258.00436 15884.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3302 262.96518 141114.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3303 263.94986 4319.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3304 264.95398 10810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3305 265.00839 13074.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3306 266.97012 5374.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3307 270.00439 13928.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3308 270.92358 71148.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3309 277.9621 52537.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3310 280.97632 110429.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3311 281.98138 13157.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3312 284.00772 9139.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3313 285.01489 32296.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3314 287.96118 3855.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3315 289.97687 181252.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3316 305.97165 38958.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3317 314.97189 30271.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3318 315.97946 17897.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3319 319.98468 18911.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3320 332.98279 23894.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3321 341.94772 7327.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3322 350.94775 6206.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3323 367.95102 6446.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3324
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3325 FORMULA: C14H13N3O2F4S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3326 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3327 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3328 NAME: Flufenacet
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3329 RETENTIONTIME: 6.476889
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3330 PRECURSORMZ: 364.0744
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3331 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3332 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3333 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3334 124.05603 201655.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3335 152.0509 5487354.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3336 152.08713 528888.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3337 194.09782 19271964.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3338 364.07422 2107439.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3339
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3340 FORMULA: C17H21N2O2ClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3341 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3342 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3343 NAME: Hexythiazox
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3344 RETENTIONTIME: 7.46046
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3345 PRECURSORMZ: 353.1096
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3346 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3347 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3348 NUM PEAKS: 18
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3349 115.0543 1419536.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3350 116.06212 1728574.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3351 117.05739 141175.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3352 125.01533 77703.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3353 132.08089 464129.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3354 133.06488 142255.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3355 133.08878 1059309.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3356 140.04968 116606.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3357 141.05769 118308.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3358 143.06068 285902.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3359 151.03107 3098662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3360 153.03435 252766.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3361 159.06828 444319.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3362 168.05769 6763262.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3363 176.02615 779438.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3364 194.03688 1165217.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3365 210.01369 101590.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3366 228.02509 203533.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3367
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3368 FORMULA: C16H14N2O2S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3369 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3370 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3371 NAME: Mefenacet
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3372 RETENTIONTIME: 7.143147
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3373 PRECURSORMZ: 299.0857
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3374 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3375 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3376 NUM PEAKS: 10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3377 91.05441 4904942.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3378 93.07003 396728.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3379 95.04928 309109.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3380 103.05439 240325.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3381 105.05748 315163.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3382 118.06553 748880.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3383 120.081 20302168.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3384 136.02161 2145909.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3385 148.0759 2833957.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3386 152.01669 272045.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3387
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3388 FORMULA: C14H13NO7S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3389 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3390 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3391 NAME: Mesotrione
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3392 RETENTIONTIME: 4.438974
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3393 PRECURSORMZ: 340.0492
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3394 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3395 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3396 NUM PEAKS: 21
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3397 92.0498 20384.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3398 94.02896 22521.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3399 95.01298 42541.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3400 104.01339 1414098.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3401 107.0131 68271.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3402 108.02079 22960.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3403 111.04435 27776.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3404 119.01284 29585.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3405 122.02398 38301.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3406 136.03949 15704.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3407 154.97983 175640.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3408 166.0137 179306.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3409 170.00336 47194.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3410 182.0032 34021.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3411 214.06305 78325.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3412 216.00862 81842.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3413 227.99644 875193.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3414 260.02258 25724.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3415 275.03772 37760.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3416 293.04776 19676.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3417 294.05606 18376.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3418
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3419 FORMULA: C11H21N5OS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3420 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3421 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3422 NAME: Methoprotryne
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3423 RETENTIONTIME: 4.953537
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3424 PRECURSORMZ: 272.1545
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3425 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3426 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3427 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3428 91.03273 1224280.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3429 103.03277 469421.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3430 108.05575 1098439.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3431 116.0279 2387399.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3432 125.0825 7238442.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3433 150.07768 1073510.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3434 152.09319 544524.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3435 156.03424 386143.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3436 156.05936 523005.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3437 158.04967 579874.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3438 170.04977 30639952.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3439 198.08067 12326767.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3440 212.09639 2176296.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3441 230.10741 452827.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3442 240.1284 1276547.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3443
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3444 FORMULA: C8H14N4OS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3445 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3446 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3447 NAME: Metribuzin
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3448 RETENTIONTIME: 4.458099
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3449 PRECURSORMZ: 215.0965
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3450 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3451 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3452 NUM PEAKS: 62
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3453 85.08886 22454.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3454 87.00137 169483.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3455 88.00926 84542.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3456 89.01718 426359.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3457 95.06072 92527.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3458 96.04461 50118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3459 97.06514 96987.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3460 98.05901 20223.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3461 99.09205 39234.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3462 104.02791 100681.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3463 108.06841 101836.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3464 109.07641 56085.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3465 110.06014 53533.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3466 110.08431 26239.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3467 114.03733 55997.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3468 114.99636 118244.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3469 115.0202 36933.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3470 116.01549 91102.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3471 117.01186 22228.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3472 123.05569 75674.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3473 123.07951 19671.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3474 124.06344 40346.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3475 124.08718 18832.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3476 125.07124 54613.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3477 125.0825 115086.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3478 126.10277 28501.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3479 129.03598 19818.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3480 130.03105 252134.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3481 131.0276 22354.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3482 131.03888 1631897.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3483 139.03265 27241.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3484 139.09824 52072.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3485 140.04034 101100.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3486 141.03566 33429.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3487 141.04825 19469.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3488 143.06389 91872.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3489 144.03552 36694.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3490 145.05458 227341.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3491 147.91982 56049.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3492 147.93188 52360.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3493 147.93575 42677.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3494 147.94106 55028.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3495 153.07755 94895.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3496 154.04378 27710.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3497 155.05132 25496.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3498 155.06427 49916.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3499 156.05936 708006.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3500 157.04344 120558.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3501 157.05453 30768.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3502 168.02261 18988.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3503 170.07477 29338.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3504 171.05882 968992.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3505 171.07022 30976.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3506 171.08282 34546.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3507 172.07808 172693.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3508 173.50877 74710.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3509 182.03879 33707.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3510 183.04619 29308.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3511 184.05394 333698.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3512 186.08231 47791.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3513 187.10153 1851092.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3514 215.09644 112225.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3515
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3516 FORMULA: C10H19N5S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3517 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3518 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3519 NAME: Prometryne
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3520 RETENTIONTIME: 4.990861
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3521 PRECURSORMZ: 242.1439
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3522 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3523 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3524 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3525 85.05116 4457818.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3526 91.03273 8009682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3527 96.05572 6069758.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3528 102.03746 367626.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3529 110.04619 4165152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3530 110.0716 444450.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3531 113.0825 1093208.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3532 116.0279 11189147.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3533 138.07761 4951850.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3534 144.05917 3781341.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3535 158.04646 408855.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3536 158.04967 34215304.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3537 173.50693 425480.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3538 186.08095 16656961.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3539 200.09659 2036050.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3540
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3541 FORMULA: C19H25N2OClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3542 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3543 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3544 NAME: Pyridaben
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3545 RETENTIONTIME: 7.556859
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3546 PRECURSORMZ: 365.1459
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3547 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3548 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3549 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3550 147.11726 1746679.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3551 309.0834 39061400.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3552 365.14478 6893662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3553
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3554 FORMULA: C8H15N5S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3555 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3556 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3557 NAME: Simetryn
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3558 RETENTIONTIME: 3.75983
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3559 PRECURSORMZ: 214.1124
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3560 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3561 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3562 NUM PEAKS: 12
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3563 91.03273 299056.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3564 96.05597 10435853.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3565 102.03746 159989.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3566 113.0825 349517.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3567 116.0279 6039216.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3568 124.08718 4340512.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3569 138.07761 424357.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3570 144.05917 2698291.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3571 158.04967 123923.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3572 166.10905 576911.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3573 186.08095 411980.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3574 214.11266 506708.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3575
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3576 FORMULA: C11H10N4O3Cl2F2S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3577 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3578 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3579 NAME: Sulfentrazone
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3580 RETENTIONTIME: 4.825635
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3581 PRECURSORMZ: 386.99
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3582 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3583 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3584 NUM PEAKS: 48
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3585 92.03084 36986.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3586 109.9793 24541.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3587 111.99506 13105.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3588 127.99009 18850.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3589 136.99023 73690.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3590 139.00583 127950.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3591 145.95616 142592.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3592 146.00066 61013.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3593 146.96414 17631.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3594 149.04001 58665.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3595 155.00107 516575.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3596 157.95639 179021.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3597 163.96677 638082.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3598 172.96719 294246.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3599 173.50693 15383.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3600 173.95125 25670.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3601 173.97466 222766.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3602 175.96661 26415.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3603 178.01723 464585.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3604 180.03255 13838.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3605 182.01176 108423.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3606 186.98276 774653.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3607 190.97755 43534.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3608 198.94617 336099.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3609 200.96233 30494.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3610 212.00275 22753.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3611 213.9933 128858.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3612 218.9523 26640.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3613 221.02235 12118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3614 222.03113 12834.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3615 223.03876 132014.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3616 226.96516 14865.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3617 232.00861 308335.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3618 245.96388 122236.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3619 246.97118 31675.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3620 256.99966 41655.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3621 258.00772 138182.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3622 271.01935 68960.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3623 272.02798 110904.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3624 273.035 1123625.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3625 274.04276 16257.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3626 279.98544 298347.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3627 286.99054 64325.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3628 287.99789 19349.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3629 289.03033 15241.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3630 306.99692 72556.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3631 308.00412 68794.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3632 336.99271 19232.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3633
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3634 FORMULA: C10H19N5S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3635 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3636 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3637 NAME: Terbutryn
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3638 RETENTIONTIME: 4.990861
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3639 PRECURSORMZ: 242.1439
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3640 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3641 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3642 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3643 85.05116 4457818.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3644 91.03273 8009682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3645 96.05572 6069758.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3646 102.03746 367626.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3647 110.04619 4165152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3648 110.0716 444450.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3649 113.0825 1093208.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3650 116.0279 11189147.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3651 138.07761 4951850.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3652 144.05917 3781341.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3653 158.04646 408855.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3654 158.04967 34215304.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3655 173.50693 425480.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3656 186.08095 16656961.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3657 200.09659 2036050.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3658
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3659 FORMULA: C10H7N3S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3660 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3661 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3662 NAME: Thiabendazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3663 RETENTIONTIME: 2.44406
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3664 PRECURSORMZ: 202.0437
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3665 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3666 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3667 NUM PEAKS: 7
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3668 92.0498 482307.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3669 131.06062 3699935.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3670 143.06068 408061.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3671 158.07153 301732.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3672 170.07179 139529.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3673 175.03255 9873992.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3674 202.04396 3731232.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3675
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3676 FORMULA: C10H9N4ClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3677 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3678 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3679 NAME: Thiacloprid
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3680 RETENTIONTIME: 4.159843
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3681 PRECURSORMZ: 253.0315
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3682 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3683 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3684 NUM PEAKS: 6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3685 90.03403 1177314.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3686 91.04182 256154.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3687 98.99973 1052050.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3688 108.0446 146293.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3689 126.01085 11655971.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3690 144.02113 633179.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3691
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3692 FORMULA: C8H10N5O3ClS
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3693 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3694 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3695 NAME: Thiamethoxam
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3696 RETENTIONTIME: 2.35524
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3697 PRECURSORMZ: 292.0273
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3698 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3699 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3700 NUM PEAKS: 10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3701 131.96729 856494.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3702 174.9729 61417.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3703 180.04681 65222.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3704 181.0547 129376.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3705 210.05699 499700.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3706 211.06477 3262623.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3707 245.02655 33196.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3708 246.0343 359117.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3709 248.02554 112237.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3710 292.02722 584625.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3711
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3712 FORMULA: C9H7N3S
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3713 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3714 SMILES: Cc1cccc2c1n1cnnc1s2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3715 NAME: Tricyclazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3716 RETENTIONTIME: 5.514598
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3717 PRECURSORMZ: 190.0439
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3718 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3719 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3720 NUM PEAKS: 10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3721 92.0498 1103195.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3722 109.01101 3220386.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3723 119.06059 619856.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3724 127.02138 192273.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3725 129.04501 178061.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3726 130.04021 316945.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3727 136.02161 16492967.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3728 137.01691 212259.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3729 163.03258 14491751.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3730 190.04391 4390148.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3731
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3732 FORMULA: C17H12N2OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3733 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3734 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3735 NAME: Fenarimol
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3736 RETENTIONTIME: 6.876775
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3737 PRECURSORMZ: 331.0412
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3738 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3739 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3740 NUM PEAKS: 60
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3741 129.01041 62692.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3742 138.99483 4713270.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3743 139.00581 348352.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3744 140.02657 87193.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3745 149.01559 101793.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3746 156.06877 160067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3747 157.07619 145321.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3748 160.97346 447898.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3749 161.97681 363570.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3750 164.0265 120667.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3751 165.07053 109460.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3752 178.07843 118150.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3753 183.0555 74353.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3754 184.06332 56066.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3755 185.07138 63091.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3756 189.07033 2498508.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3757 192.02161 92048.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3758 192.04518 47251.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3759 199.0313 150848.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3760 200.03886 96007.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3761 203.07297 92058.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3762 204.08092 678200.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3763 205.06487 253030.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3764 205.08929 197254.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3765 206.07339 64967.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3766 212.03918 81877.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3767 216.08105 187436.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3768 217.06558 157687.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3769 219.0323 135275.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3770 220.0406 48463.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3771 223.03162 1274143.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3772 224.03886 340107.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3773 225.04663 54849.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3774 231.0923 53552.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3775 232.07594 380360.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3776 232.09967 52199.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3777 232.99239 244669.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3778 233.08405 997290.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3779 235.00783 124586.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3780 238.04195 729158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3781 240.05751 690775.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3782 241.04176 517674.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3783 241.06586 115853.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3784 242.08463 143951.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3785 243.09258 198185.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3786 250.04214 378960.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3787 251.0031 434485.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3788 251.02657 76166.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3789 251.05006 585923.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3790 252.03401 1565574.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3791 259.00827 2379846.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3792 259.08661 47950.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3793 266.03717 318342.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3794 267.04504 216878.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3795 267.06848 215642.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3796 268.05276 3869425.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3797 276.03445 91579.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3798 277.0527 143152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3799 278.06161 515869.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3800 279.06857 114232.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3801
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3802 FORMULA: C19H17N4Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3803 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3804 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3805 NAME: Fenbuconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3806 RETENTIONTIME: 7.045859
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3807 PRECURSORMZ: 337.1223
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3808 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3809 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3810 NUM PEAKS: 9
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3811 89.03882 491858.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3812 91.05441 1708709.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3813 103.05439 763259.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3814 125.01532 31583906.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3815 128.062 614101.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3816 129.07021 1018109.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3817 139.0309 716816.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3818 155.06064 335216.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3819 163.0309 736285.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3820
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3821 FORMULA: C16H8N5OCl2F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3822 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3823 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3824 NAME: Fluquinconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3825 RETENTIONTIME: 7.093534
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3826 PRECURSORMZ: 376.0173
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3827 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3828 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3829 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3830 108.02471 848273.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3831 123.99523 983397.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3832 126.03514 85852.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3833 158.97679 294325.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3834 163.03033 1264696.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3835 181.04097 120423.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3836 195.05714 105799.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3837 243.01224 134077.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3838 244.01985 783328.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3839 251.97818 94741.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3840 272.01474 3792436.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3841 278.98978 1325774.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3842 279.97287 100928.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3843 287.02576 171499.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3844 306.98392 7738432.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3845 313.02911 148350.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3846 314.03632 96754.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3847 324.99539 291864.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3848 331.97888 91552.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3849 339.01056 449848.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3850 349.00613 731296.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3851 349.98984 271485.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3852
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3853 FORMULA: C16H13N3OF2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3854 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3855 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3856 NAME: Flutriafol
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3857 RETENTIONTIME: 5.240544
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3858 PRECURSORMZ: 302.1111
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3859 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3860 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3861 NUM PEAKS: 11
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3862 109.04492 5549990.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3863 113.03991 603136.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3864 123.02199 197823.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3865 123.02419 14667272.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3866 123.03517 2231147.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3867 137.03973 187845.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3868 165.06996 216662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3869 194.05283 196543.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3870 195.06081 577107.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3871 214.05884 311976.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3872 215.0668 353163.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3873
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3874 FORMULA: C11H8N2O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3875 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3876 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3877 NAME: Fuberidazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3878 RETENTIONTIME: 2.456748
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3879 PRECURSORMZ: 185.0715
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3880 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3881 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3882 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3883 92.0498 2714348.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3884 103.05439 924742.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3885 118.05279 1356359.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3886 119.06059 1561269.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3887 128.04956 416024.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3888 129.04501 934098.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3889 129.05762 1711080.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3890 130.06528 5627980.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3891 131.06062 2006719.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3892 142.05298 1703655.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3893 143.06068 769483.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3894 155.06064 2222038.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3895 156.06877 35950644.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3896 157.07619 39653584.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3897 185.0714 6790632.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3898
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3899 FORMULA: C15H18N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3900 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3901 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3902 NAME: Cyproconazole_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3903 RETENTIONTIME: 6.138374
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3904 PRECURSORMZ: 292.122
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3905 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3906 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3907 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3908 89.03882 111896.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3909 125.01532 6537308.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3910 138.99483 329090.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3911 139.00581 166501.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3912
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3913 FORMULA: C15H18N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3914 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3915 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3916 NAME: Cyproconazole_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3917 RETENTIONTIME: 6.36811
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3918 PRECURSORMZ: 292.1225
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3919 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3920 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3921 NUM PEAKS: 4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3922 89.03882 144933.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3923 125.01532 8553550.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3924 138.99483 403028.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3925 139.00581 198856.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3926
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3927 FORMULA: C15H19N3OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3928 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3929 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3930 NAME: Diclobutrazol
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3931 RETENTIONTIME: 6.830443
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3932 PRECURSORMZ: 328.0983
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3933 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3934 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3935 NUM PEAKS: 11
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3936 122.99965 485826.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3937 125.01532 529574.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3938 137.01562 496542.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3939 158.97626 45675696.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3940 164.03891 599051.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3941 172.9556 1689517.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3942 172.99223 1044544.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3943 174.97104 486149.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3944 186.97108 498843.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3945 190.96622 746907.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3946 199.00793 579087.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3947
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3948 FORMULA: C19H17N3O3Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3949 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3950 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3951 NAME: Difenoconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3952 RETENTIONTIME: 7.351549
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3953 PRECURSORMZ: 406.0727
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3954 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3955 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3956 NUM PEAKS: 13
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3957 129.07021 341601.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3958 139.00626 338485.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3959 141.01048 334473.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3960 152.06247 924840.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3961 153.07042 500230.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3962 181.06517 598188.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3963 187.03149 1315167.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3964 188.03915 3752594.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3965 215.02702 454036.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3966 216.03418 363614.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3967 223.00838 2665156.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3968 251.0031 32513990.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3969 264.98291 3756956.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3970
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3971 FORMULA: C15H17N3OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3972 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3973 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3974 NAME: Diniconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3975 RETENTIONTIME: 6.999194
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3976 PRECURSORMZ: 326.0832
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3977 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3978 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3979 NUM PEAKS: 52
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3981 110.0716 52760.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3982 123.00002 65949.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3983 136.00755 116731.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3984 137.01562 125799.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3985 141.07028 87788.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3986 143.08594 53581.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3987 145.0649 52799.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3988 148.08749 54447.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3989 150.02344 61653.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3990 153.07042 57255.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3991 154.07816 75541.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3992 158.97679 4013011.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3993 162.0233 223821.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3994 164.03891 43958.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3995 165.01022 141964.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3996 166.0183 79777.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3997 169.10155 324107.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3998 170.97658 348553.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	3999 172.95621 929271.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4000 172.96719 160833.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4001 172.99223 196389.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4002 175.0313 83110.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4003 176.03931 389366.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4004 179.02609 125863.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4005 180.03384 98155.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4006 182.07175 55824.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4007 182.97643 126111.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4008 184.99236 46623.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4009 185.98766 43685.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4010 189.0215 81465.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4011 189.04662 463062.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4012 190.02985 105876.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4013 191.02502 124599.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4014 193.04185 237565.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4015 196.99208 133380.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4016 203.03725 47288.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4017 203.06287 40626.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4018 204.07076 337511.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4019 205.01678 42726.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4020 207.0574 131489.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4021 209.9998 62865.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4022 216.03247 187324.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4023 217.0407 287524.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4024 224.01547 69804.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4025 230.04839 54464.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4026 234.04297 67828.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4027 240.0096 86885.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4028 252.00932 126391.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4029 264.0097 43206.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4030 270.01987 48934.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4031 278.02554 102202.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4032
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4033 FORMULA: C17H13N3OClF
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4034 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4035 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4036 NAME: Epoxiconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4037 RETENTIONTIME: 6.999194
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4038 PRECURSORMZ: 330.0806
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4039 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4040 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4041 NUM PEAKS: 12
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4042 91.05464 783917.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4043 101.03878 454726.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4044 113.01572 623551.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4045 113.04023 604178.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4046 119.04978 1591248.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4047 121.04307 362239.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4048 121.04521 27069946.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4049 123.02455 5942544.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4050 123.03517 2030362.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4051 129.04501 7068444.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4052 138.99483 468356.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4053 141.01048 1219612.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4054
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4055 FORMULA: C14H15N3O2Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4056 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4057 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4058 NAME: Etaconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4059 RETENTIONTIME: 6.802904
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4060 PRECURSORMZ: 328.0626
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4061 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4062 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4063 NUM PEAKS: 10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4064 122.99965 480348.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4065 125.01532 599928.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4066 137.01562 455760.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4067 158.97626 39434140.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4068 164.03891 610435.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4069 172.9556 1469728.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4070 172.99223 970218.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4071 174.97166 597883.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4072 190.96622 527039.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4073 199.00793 567443.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4074
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4075 FORMULA: C11H19N3O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4076 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4077 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4078 NAME: Ethirimol
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4079 RETENTIONTIME: 2.246086
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4080 PRECURSORMZ: 210.1608
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4081 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4082 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4083 NUM PEAKS: 32
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4084 93.07027 325229.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4085 95.06072 869968.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4086 95.08585 891568.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4087 96.0446 781962.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4088 97.03999 1008744.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4089 98.06031 16588468.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4090 105.07019 215544.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4091 107.07314 1858556.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4092 109.0761 345145.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4093 110.06044 242964.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4094 110.0716 341679.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4095 110.09671 170712.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4096 111.07922 353713.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4097 112.11221 261603.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4098 114.06642 269861.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4099 120.081 391118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4100 122.07138 761007.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4101 122.08405 230087.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4102 122.09672 693029.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4103 123.05569 456004.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4104 124.06344 347297.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4105 138.06627 3057256.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4106 139.07446 2046408.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4107 140.10709 14705233.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4108 150.10286 1256237.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4109 152.08211 570565.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4110 165.10242 2897067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4111 166.09755 407251.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4112 167.10577 1091732.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4113 182.12912 2661313.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4114 193.13402 1554662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4115 210.15997 2414378.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4116
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4117 FORMULA: C14H17N3OCl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4118 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4119 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4120 NAME: Hexaconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4121 RETENTIONTIME: 6.793731
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4122 PRECURSORMZ: 314.0833
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4123 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4124 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4125 NUM PEAKS: 16
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4126 115.05463 149487.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4127 123.00002 104704.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4128 125.0157 1580755.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4129 129.01041 156034.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4130 136.00755 162737.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4131 139.00626 458884.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4132 146.97656 554008.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4133 149.01559 424582.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4134 150.02344 1003022.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4135 153.01047 351412.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4136 158.97679 7629371.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4137 170.97658 545468.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4138 172.99223 112377.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4139 174.97166 740773.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4140 184.99236 690533.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4141 188.98734 151249.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4142
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4143 FORMULA: C18H24N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4144 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4145 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4146 NAME: Ipconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4147 RETENTIONTIME: 7.112235
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4148 PRECURSORMZ: 334.1694
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4149 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4150 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4151 NUM PEAKS: 18
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4152 89.03882 79221.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4153 95.08585 152078.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4154 109.10148 351087.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4155 115.05463 110112.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4156 116.06245 125067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4157 125.01532 7756546.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4158 128.06239 168573.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4159 130.078 83461.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4160 139.03134 219182.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4161 142.07797 176298.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4162 149.01559 120448.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4164 155.06064 99629.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4165 156.09335 164234.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4166 163.0309 672001.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4167 165.04663 173374.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4168 177.04655 269267.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4169 191.06258 291856.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4170
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4171 FORMULA: C17H22N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4172 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4173 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4174 NAME: Metconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4175 RETENTIONTIME: 7.017605
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4177 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4178 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4179 NUM PEAKS: 13
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4180 95.08585 468079.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4181 107.08563 155599.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4182 125.01532 7873925.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4183 128.06239 109318.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4184 139.0309 414801.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4185 141.07028 83342.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4186 142.07797 413140.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4187 151.03107 437268.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4188 156.09335 90865.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4189 163.0309 398692.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4190 165.04663 82686.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4191 177.04655 645875.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4192 191.06258 194319.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4193
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4194 FORMULA: C17H12N2OClF
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4195 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4196 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4197 NAME: Nuarimol
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4198 RETENTIONTIME: 6.452959
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4199 PRECURSORMZ: 315.0705
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4200 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4201 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4202 NUM PEAKS: 59
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4203 113.03991 15277.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4204 123.02419 689099.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4206 128.04956 14564.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4207 129.01041 14843.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4208 133.0451 22041.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4209 138.99483 1332636.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4210 139.00581 94456.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4211 140.02657 19300.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4212 146.06032 14189.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4213 148.05606 39683.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4214 149.01559 14981.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4215 155.06064 19858.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4217 157.07619 36997.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4218 164.0265 18608.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4219 175.06673 21221.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4220 176.05058 19072.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4221 177.06996 49682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4222 183.0555 30209.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4223 183.06081 88118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4224 184.06332 19768.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4225 184.06868 59202.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4226 196.06854 97299.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4227 197.07671 61139.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4228 203.0621 35166.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4229 204.06998 19803.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4230 204.08092 49291.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4231 205.06487 29754.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4232 207.06059 882384.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4233 208.0686 634275.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4234 209.07669 25592.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4235 217.0218 165488.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4245 234.07179 197210.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4247 235.05521 28642.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4249 236.06332 486776.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4250 242.08463 14147.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4251 243.03766 1030291.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4252 250.06654 105369.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4253 251.07462 143926.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4254 251.0981 73184.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4255 252.08234 1413294.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4256 260.06421 35847.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4257 261.08243 111553.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4258 262.0907 121243.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4259 263.09796 32958.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4260 269.04013 16405.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4261 270.04846 16960.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4262
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4263 FORMULA: C15H20N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4264 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4265 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4266 NAME: Paclobutrazol
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4267 RETENTIONTIME: 6.358851
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4268 PRECURSORMZ: 294.1362
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4269 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4270 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4271 NUM PEAKS: 22
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4272 87.0807 394679.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4273 89.03882 144548.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4274 91.05441 100589.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4275 95.04928 72012.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4276 102.04659 60868.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4277 103.05439 512214.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4278 113.0154 191248.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4279 115.0543 61507.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4280 116.06211 61856.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4281 125.01532 6037114.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4282 126.01882 85997.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4283 127.01254 4019573.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4284 129.07021 226797.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4285 130.078 602958.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4286 137.01562 331896.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4287 139.0309 780894.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4288 140.99162 137268.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4289 141.00285 65567.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4290 141.01048 108664.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4291 151.03107 202825.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4292 165.04663 986782.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4293 173.50876 86407.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4294
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4295 FORMULA: C13H15N3Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4296 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4297 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4298 NAME: Penconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4299 RETENTIONTIME: 6.747501
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4300 PRECURSORMZ: 284.0724
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4301 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4302 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4303 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4304 102.04659 746383.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4305 122.99965 1405085.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4306 137.01562 2859486.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4307 158.97626 62049868.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4308 172.99223 3885430.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4309
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4310 FORMULA: C15H17N3O2Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4311 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4312 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4313 NAME: Propiconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4314 RETENTIONTIME: 6.999194
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4315 PRECURSORMZ: 342.0777
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4316 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4317 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4318 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4319 122.99965 303053.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4320 158.97626 24240670.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4321 172.9556 1323126.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4322 186.97108 391981.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4323 190.96622 431621.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4324
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4325 FORMULA: C16H22N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4326 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4327 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4328 NAME: Tebuconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4329 RETENTIONTIME: 6.933391
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4330 PRECURSORMZ: 308.1532
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4331 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4332 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4333 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4334 89.03882 78455.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4335 103.05439 150981.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4336 115.0543 806550.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4337 116.06211 1104744.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4338 125.01532 7312966.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4339 129.07021 192428.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4340 130.078 394675.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4341 133.06488 89665.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4342 137.01562 81241.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4343 139.0309 552019.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4344 143.06068 143813.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4345 144.09352 109186.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4346 151.03107 2225088.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4347 165.04663 474739.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4348 179.0621 93619.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4349
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4350 FORMULA: C13H11N3OCl2F4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4351 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4352 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4353 NAME: Tetraconazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4354 RETENTIONTIME: 6.434036
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4355 PRECURSORMZ: 372.0302
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4356 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4357 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4358 NUM PEAKS: 6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4359 115.05463 210733.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4360 149.01559 493803.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4361 150.02344 1143618.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4362 158.97679 15780315.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4363 176.96693 301907.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4364 184.99236 249943.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4365
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4366 FORMULA: C15H15N3OClF3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4367 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4368 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4369 NAME: Triflumizole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4370 RETENTIONTIME: 6.821252
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4371 PRECURSORMZ: 346.094
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4372 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4373 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4374 NUM PEAKS: 2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4375 278.05542 29552484.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4376 346.09351 955540.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4377
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4378 FORMULA: C17H20N3OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4379 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4380 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4381 NAME: Triticonazole
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4382 RETENTIONTIME: 6.793731
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4383 PRECURSORMZ: 318.1369
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4384 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4385 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4386 NUM PEAKS: 59
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4387 89.03882 57349.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4388 91.05464 43853.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4389 95.04953 68354.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4390 95.08585 78735.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4391 105.04505 52373.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4392 105.07019 44975.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4393 109.06509 75668.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4394 109.10148 51915.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4395 113.01572 53023.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4396 115.05463 68376.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4397 123.0806 45319.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4398 124.08866 67815.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4399 125.0157 4347652.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4400 127.01254 310325.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4401 128.06239 303332.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4402 130.078 46406.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4403 138.99483 44710.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4404 139.03134 105057.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4405 141.0033 76537.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4406 141.01048 71845.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4407 141.07028 162099.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4408 142.07797 64263.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4409 145.0649 84426.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4410 149.01559 164192.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4411 150.97079 108504.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4412 151.01263 78052.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4413 151.03107 81877.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4414 152.0202 168874.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4415 152.06247 59642.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4416 153.06992 138585.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4417 154.07816 168480.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4418 155.00728 52088.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4419 155.06064 174636.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4420 155.07307 63253.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4421 155.08603 105852.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4422 156.09389 497246.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4423 160.97346 52002.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4424 161.97681 59631.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4425 162.0233 93274.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4426 162.97058 1449389.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4427 163.0309 743940.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4428 165.04663 51233.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4429 165.06996 567265.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4430 166.07343 191274.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4431 167.0768 126513.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4441 189.04662 686868.0
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df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4447 FORMULA: C43H69NO10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4448 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4449 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
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4450 NAME: Spinetoram L
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4451 RETENTIONTIME: 6.970665
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4452 PRECURSORMZ: 760.5021
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4453 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4454 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4455 NUM PEAKS: 21
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4456 85.06505 76410.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4457 87.04429 159491.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4458 95.04928 101292.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4459 97.06514 990457.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4460 98.09655 3217928.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4461 99.04415 293676.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4462 99.08067 604833.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4463 101.06004 88798.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4464 111.04435 94328.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4465 115.0755 369305.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4466 124.11241 164399.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4467 125.05997 306356.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4468 127.07556 185334.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4469 142.12299 6861919.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4470 157.08623 113064.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4471 160.13321 150610.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4472 169.10155 133452.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4473 173.50752 93996.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4474 183.11732 117521.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4475 211.11166 121662.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4476 213.09132 89441.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4477
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4478 FORMULA: C49H75NO13
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4479 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4480 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
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4481 NAME: Emamectin benzoate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4482 RETENTIONTIME: 6.999389
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4483 PRECURSORMZ: 886.5328
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4484 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4485 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4486 NUM PEAKS: 11
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4487 95.04928 292923.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4488 98.06031 268499.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4489 108.08107 688810.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4490 109.10148 229513.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4491 114.0916 233366.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4492 119.08569 201386.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4493 123.11689 375128.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4494 126.09174 1876739.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4495 140.10709 213152.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4496 158.11794 18414448.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4497 173.50876 230972.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4498
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4499 FORMULA: C20H33NO
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4500 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4501 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4502 NAME: Fenpropimorph
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4503 RETENTIONTIME: 4.613603
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4504 PRECURSORMZ: 304.2642
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4505 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4506 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4507 NUM PEAKS: 14
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4508 91.05441 1025363.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4509 98.09655 5764430.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4510 102.09142 427096.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4511 105.0699 3838997.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4512 107.08563 608609.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4513 116.10709 2962134.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4514 117.06997 1187727.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4515 119.08569 5923314.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4516 130.1226 4460902.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4517 132.09351 5501752.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4518 145.10147 350602.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4519 147.11678 29169826.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4520 161.13254 881881.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4521 304.26379 2555976.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4522
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4523 FORMULA: C21H24O4Cl2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4524 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4525 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4526 NAME: Spirodiclofen
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4527 RETENTIONTIME: 7.279784
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4528 PRECURSORMZ: 411.1127
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4529 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4530 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4531 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4532 313.03357 548684.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4533 313.03952 12618725.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4534 411.11246 2380661.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4535
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4536 FORMULA: C41H65NO10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4537 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4538 SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4539 NAME: Spinosad
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4540 RETENTIONTIME: 6.884336
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4541 PRECURSORMZ: 732.4695
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4542 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4543 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4544 NUM PEAKS: 24
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4545 85.06505 290872.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4546 95.08585 281431.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4547 97.06514 4107321.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4548 98.09655 11811636.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4549 99.04415 1980639.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4550 99.08067 1702591.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4551 101.05976 1777858.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4552 113.05991 355791.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4553 115.0755 428942.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4554 124.11241 549097.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4555 125.05997 1372437.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4556 129.09106 504378.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4557 142.12299 24420248.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4558 145.08598 799808.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4559 155.08551 1085827.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4560 157.08623 650576.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4561 160.13321 457492.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4562 169.10155 538427.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4563 173.50937 310025.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4564 183.08075 246373.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4565 197.09599 753984.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4566 199.07574 416158.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4567 201.0916 354498.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4568 225.09103 339682.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4569
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4570 FORMULA: C21H27NO5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4571 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4572 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4573 NAME: Spirotetramat
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4574 RETENTIONTIME: 6.637813
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4575 PRECURSORMZ: 374.1972
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4576 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4577 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4578 NUM PEAKS: 25
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4579 117.07031 3145654.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4580 119.08569 1788706.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4581 131.08598 559926.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4582 143.08594 1443391.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4583 145.06535 755443.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4584 145.10147 3741174.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4585 147.08087 660014.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4586 155.08603 1939864.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4587 157.10155 488130.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4588 160.11253 518572.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4589 169.10155 615151.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4590 173.06003 2045691.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4591 173.09608 1047769.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4592 182.10933 614118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4593 183.11732 922964.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4594 188.10699 1101991.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4595 192.09375 469162.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4596 197.13313 1231311.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4597 207.11739 667038.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4598 216.10236 45921764.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4599 225.12729 615992.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4600 244.13345 5845476.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4601 253.12317 483222.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4602 270.14972 5260680.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4603 302.17508 467268.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4604
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4605 FORMULA: C42H69NO10
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4606 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4607 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
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4608 NAME: Spinetoram J
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4609 RETENTIONTIME: 6.875065
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4610 PRECURSORMZ: 748.4996
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4611 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4612 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4613 NUM PEAKS: 19
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4614 87.04429 367892.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4615 95.04928 288081.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4616 97.06488 2777411.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4617 98.09655 8992013.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4618 99.04415 801171.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4619 99.08067 1598443.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4620 111.04435 203657.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4621 115.0755 975367.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4622 124.11241 446241.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4623 125.05997 894301.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4624 127.07556 507677.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4625 142.12299 18851726.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4626 157.08623 430463.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4627 157.10155 1058798.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4628 160.13321 524113.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4629 171.11707 230127.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4630 199.11194 246050.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4631 203.10715 581698.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4632 217.12222 236328.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4633
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4634 FORMULA: C25H24N4F6
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4635 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4636 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4637 NAME: Hydramethylnon
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4638 RETENTIONTIME: 6.67979
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4639 PRECURSORMZ: 495.1986
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4640 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4641 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4642 NUM PEAKS: 48
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4643 86.09703 592073.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4644 97.07668 1102254.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4645 102.04713 162761.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4646 109.07671 152336.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4647 111.09241 210434.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4648 112.08799 1438576.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4649 112.1001 1334338.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4650 113.10799 1043525.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4651 126.10352 2018271.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4652 127.11132 687935.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4653 128.1188 2868988.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4654 151.03604 3123530.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4655 153.11414 318101.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4656 159.04243 1900688.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4657 163.12367 266550.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4658 169.04726 264978.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4659 171.04259 9972201.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4660 178.04718 949330.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4661 183.04219 978938.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4662 196.0376 218268.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4663 198.05374 693364.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4664 209.05803 231723.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4665 213.06461 1076938.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4666 214.04874 274804.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4667 218.05339 138241.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4668 223.04858 173264.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4669 225.06474 1428863.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4670 238.05968 4320120.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4671 239.08025 155000.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4672 247.08057 319312.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4673 253.14586 318558.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4674 255.08643 272181.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4675 267.08603 1563035.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4676 270.13541 250539.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4677 281.12677 392614.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4678 295.14307 440522.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4679 298.08517 500719.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4680 298.15424 170519.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4681 299.09323 317366.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4682 307.14276 192450.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4683 323.14941 13337730.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4684 328.07541 186287.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4685 334.15344 701456.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4686 348.08228 404641.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4687 353.0658 262110.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4688 366.07346 193709.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4689 368.08932 5815862.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4690 495.20059 2433116.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4691
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4692 FORMULA: C11H16N2O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4693 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4694 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4695 NAME: Aminocarb_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4696 RETENTIONTIME: 0.8035756
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4697 PRECURSORMZ: 209.129
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4698 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4699 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4700 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4701 120.05733 176701.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4702 122.06016 1917070.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4703 136.07611 928093.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4704 137.08363 8823033.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4705 152.10725 186336.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4706
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4707 FORMULA: C11H16N2O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4708 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4709 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4710 NAME: Aminocarb_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4711 RETENTIONTIME: 1.13997
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4712 PRECURSORMZ: 209.129
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4713 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4714 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4715 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4716 120.05733 247123.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4717 122.06016 2666029.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4718 136.07611 1253139.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4719 137.08363 12201258.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4720 152.10725 242082.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4721
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4722 FORMULA: C9H20N2O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4723 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4724 SMILES: CCCOC(=NCCCN(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4725 NAME: Propamocarb_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4726 RETENTIONTIME: 0.7535679
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4727 PRECURSORMZ: 189.1603
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4728 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4729 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4730 NUM PEAKS: 2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4731 86.0966 201548.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4732 102.05516 5038638.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4733
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4734 FORMULA: C9H20N2O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4735 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4736 SMILES: CCCOC(=NCCCN(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4737 NAME: Propamocarb_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4738 RETENTIONTIME: 1.081971
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4739 PRECURSORMZ: 189.1603
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4740 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4741 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4742 NUM PEAKS: 2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4743 86.0966 107829.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4744 102.05516 2507023.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4745
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4746 FORMULA: C11H15N3O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4747 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4748 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4749 NAME: Formetanate_1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4750 RETENTIONTIME: 0.7730471
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4751 PRECURSORMZ: 222.1239
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4752 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4753 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4754 NUM PEAKS: 13
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4755 93.03365 1796.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4756 107.04935 1981.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4757 111.04435 82262.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4758 118.04142 1927.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4759 120.04462 150907.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4760 121.03984 67610.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4761 122.06016 5909.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4762 122.75254 1678.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4763 150.98424 1930.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4764 165.1024 143887.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4765 173.50876 2616.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4766 200.05632 2056.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4767 208.52768 2170.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4768
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4769 FORMULA: C11H15N3O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4770 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4771 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4772 NAME: Formetanate_2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4773 RETENTIONTIME: 1.13043
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4774 PRECURSORMZ: 222.1239
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4775 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4776 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4777 NUM PEAKS: 15
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4778 91.05441 6330.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4779 93.03365 27201.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4780 107.04935 4024.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4781 111.04435 131558.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4782 115.05429 3711.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4783 117.06996 5571.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4784 118.04177 4476.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4785 120.04462 274740.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4786 121.03984 113412.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4787 122.06016 7843.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4788 124.07605 4049.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4789 135.04427 4178.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4790 145.06488 3067.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4791 164.95049 3848.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4792 165.1024 263802.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4793
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4794 FORMULA: C12H18N2O2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4795 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4796 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4797 NAME: Mexacarbate
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4798 RETENTIONTIME: 1.682191
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4799 PRECURSORMZ: 223.1443
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4800 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4801 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4802 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4803 134.07283 2632951.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4804 136.07611 26036728.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4805 150.092 1572118.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4806 151.09932 54847764.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4807 166.12282 1541928.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4808
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4809 FORMULA: C19H21N2OCl
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4810 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4811 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4812 NAME: Monceren
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4813 RETENTIONTIME: 7.14553
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4814 PRECURSORMZ: 329.1426
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4815 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4816 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4817 NUM PEAKS: 5
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4818 89.03881 550831.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4819 94.06543 635265.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4820 106.06545 446416.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4821 125.01307 512150.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4822 125.01532 37442116.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4823
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4824 FORMULA: C16H16N2O4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4825 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4826 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4827 NAME: Desmedipham
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4828 RETENTIONTIME: 6.430396
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4829 PRECURSORMZ: 301.1192
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4830 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4831 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4832 NUM PEAKS: 3
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4833 136.03947 1773399.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4834 154.04993 1002798.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4835 182.08162 6480130.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4836
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4837 FORMULA: C16H16N2O4
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4838 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4839 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4840 NAME: Phenmedipham
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4841 RETENTIONTIME: 6.570995
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4842 PRECURSORMZ: 301.1185
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4843 PRECURSORTYPE: [M+H]+
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4844 INSTRUMENTTYPE: LC-ESI-Orbitrap
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4845 NUM PEAKS: 2
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4846 136.03947 2596929.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4847 168.06587 7038054.0
df85b26201d1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a recetox parents: diff changeset	4848

Mercurial > repos > recetox > matchms_fingerprint_similarity

annotate test-data/convert/ms_lima_output.msp @ 1:df85b26201d1 draft