isolib: test-data/test8.msp annotate

annotate test-data/test8.msp @ 6:f0fe957df1cc draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628

author	recetox
date	Thu, 12 Jun 2025 09:17:20 +0000
parents
children	06f2d0d6d107

rev	line source
6 f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1 NAME: Glyphosate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	3 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	4 FORMULA: C3H8N1O5P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	5 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	6 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	7 precursor_mz: 170.021284986
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	8 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	9 170.021285308091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	10
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	11 NAME: Chlormequat chloride (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	12 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	13 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	14 FORMULA: C5H13N1Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	15 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	16 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	17 precursor_mz: 123.080928096
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	18 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	19 123.080928588091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	20 125.077978478091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	21
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	22 NAME: (Aminomethyl)phosphonic acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	23 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	24 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	25 FORMULA: C1H6N1O3P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	26 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	27 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	28 precursor_mz: 112.015805682
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	29 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	30 112.015806004091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	31
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	32 NAME: alpha-Fluoro-beta-alanine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	33 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	34 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	35 FORMULA: C3H6N1O2F1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	36 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	37 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	38 precursor_mz: 108.045532652
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	39 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	40 108.045533094091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	41
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	42 NAME: 5-fluorouracil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	43 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	44 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	45 FORMULA: C4H3N2O2F1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	46 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	47 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	48 precursor_mz: 131.025131556
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	49 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	50 131.025132008091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	51
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	52 NAME: Gemcitabine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	53 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	54 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	55 FORMULA: C9H11N3O4F2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	56 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	57 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	58 precursor_mz: 264.079038272
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	59 retention_time: 1.1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	60 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	61 264.079038714091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	62
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	63 NAME: Cyclophosphamide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	64 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	65 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	66 FORMULA: C7H15N2O2Cl2P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	67 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	68 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	69 precursor_mz: 261.03209571
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	70 retention_time: 4.2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	71 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	72 261.032096102091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	73 263.029145992091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	74 265.026195882091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	75
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	76 NAME: Cytarabine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	77 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	78 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	79 FORMULA: C9H13N3O5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	80 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	81 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	82 precursor_mz: 244.092796516
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	83 retention_time: 0.8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	84 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	85 244.092796998091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	86
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	87 NAME: Ifosfamide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	88 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	89 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	90 FORMULA: C7H15N2O2Cl2P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	91 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	92 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	93 precursor_mz: 261.03209571
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	94 retention_time: 3.9
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	95 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	96 261.032096102091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	97 263.029145992091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	98 265.026195882091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	99
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	100 NAME: Paraquat dichloride (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	101 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	102 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	103 FORMULA: C12H14N2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	104 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	105 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	106 precursor_mz: 187.122974448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	107 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	108 187.122974920091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	109 188.126329760091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	110
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	111 NAME: Acetaminophen sulfate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	112 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	113 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	114 FORMULA: C8H9N1O5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	115 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	116 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	117 precursor_mz: 232.027419388
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	118 retention_time: 0.5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	119 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	120 232.027419580091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	121
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	122 NAME: Acetaminophen mercapturate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	123 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	124 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	125 FORMULA: C13H16N2O5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	126 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	127 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	128 precursor_mz: 313.085268612
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	129 retention_time: 2.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	130 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	131 313.085268814091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	132 314.088623654091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	133
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	134 NAME: Resorcinol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	135 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	136 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	137 FORMULA: C6H6O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	138 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	139 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	140 precursor_mz: 111.044055432
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	141 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	142 111.044055884091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	143
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	144 NAME: Caffeic acid 3-O-sulfate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	145 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	146 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	147 FORMULA: C9H8O7S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	148 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	149 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	150 precursor_mz: 261.006349596
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	151 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	152 261.006349778091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	153
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	154 NAME: Omethoate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	155 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	156 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	157 FORMULA: C5H12N1O4P1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	158 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	159 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	160 precursor_mz: 214.029741494
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	161 retention_time: 1.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	162 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	163 214.029741546091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	164
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	165 NAME: Malathion dicarboxylic Acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	166 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	167 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	168 FORMULA: C6H11O6P1S2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	169 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	170 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	171 precursor_mz: 274.980742702
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	172 retention_time: 4.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	173 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	174 274.980742474091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	175
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	176 NAME: 4-Nitrophenol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	177 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	178 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	179 FORMULA: C6H5N1O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	180 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	181 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	182 precursor_mz: 140.03421902
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	183 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	184 140.034219482091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	185
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	186 NAME: 2-(diethylamino)-6-methylpyrimidin-4-ol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	187 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	188 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	189 FORMULA: C9H15N3O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	190 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	191 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	192 precursor_mz: 182.1287881
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	193 retention_time: 1.6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	194 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	195 182.128788582091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	196
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	197 NAME: O,O-Dimethyldithiophosphate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	198 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	199 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	200 FORMULA: C2H7O2P1S2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	201 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	202 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	203 precursor_mz: 158.969784094
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	204 retention_time: 4.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	205 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	206 158.969783866091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	207
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	208 NAME: 1,3-Dichloro-2-propanol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	209 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	210 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	211 FORMULA: C3H6O1Cl2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	212 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	213 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	214 precursor_mz: 128.986846172
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	215 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	216 128.986846684091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	217 130.983896574091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	218 132.980946464091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	219
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	220 NAME: Acetaminophen (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	221 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	222 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	223 FORMULA: C8H9N1O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	224 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	225 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	226 precursor_mz: 152.070604528
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	227 retention_time: 1.5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	228 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	229 152.070604990091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	230
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	231 NAME: Methylparaben (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	232 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	233 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	234 FORMULA: C8H8O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	235 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	236 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	237 precursor_mz: 153.054620116
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	238 retention_time: 6.8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	239 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	240 153.054620568091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	241
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	242 NAME: Butylparaben (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	243 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	244 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	245 FORMULA: C11H14O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	246 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	247 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	248 precursor_mz: 195.101570308
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	249 retention_time: 6.8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	250 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	251 195.101570760091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	252 196.104925600091 11.8973011220055
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	253
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	254 NAME: Bentazone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	255 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	256 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	257 FORMULA: C10H12N2O3S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	258 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	259 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	260 precursor_mz: 241.064139244
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	261 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	262 241.064139446091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	263 242.067494286091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	264
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	265 NAME: 2,4-Dihydroxybenzophenone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	266 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	267 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	268 FORMULA: C13H10O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	269 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	270 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	271 precursor_mz: 215.07027018
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	272 retention_time: 7.2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	273 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	274 215.070270632091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	275 216.073625472091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	276
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	277 NAME: 2,6-Diethylaniline (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	278 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	279 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	280 FORMULA: C10H15N1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	281 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	282 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	283 precursor_mz: 150.12772548
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	284 retention_time: 5.1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	285 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	286 150.127725942091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	287 151.131080782091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	288
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	289 NAME: DEET (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	290 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	291 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	292 FORMULA: C12H17N1O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	293 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	294 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	295 precursor_mz: 192.138290164
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	296 retention_time: 5.8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	297 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	298 192.138290626091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	299 193.141645466091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	300
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	301 NAME: 2,4-Dichlorophenol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	302 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	303 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	304 FORMULA: C6H4O1Cl2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	305 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	306 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	307 precursor_mz: 162.971196108
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	308 retention_time: 0.8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	309 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	310 162.971196620091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	311 164.968246510091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	312 166.965296400091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	313
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	314 NAME: 3-Phenoxybenzoic acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	315 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	316 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	317 FORMULA: C13H10O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	318 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	319 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	320 precursor_mz: 215.07027018
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	321 retention_time: 7.16
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	322 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	323 215.070270632091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	324 216.073625472091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	325
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	326 NAME: 3,5,6-Trichloro-2-pyridinol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	327 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	328 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	329 FORMULA: C5H2N1O1Cl3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	330 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	331 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	332 precursor_mz: 197.927472724
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	333 retention_time: 6.8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	334 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	335 197.927473276091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	336 199.924523166091 95.987328405491
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	337 201.921573056091 30.7118907147453
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	338
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	339 NAME: Perfluorohexanesulfonic acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	340 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	341 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	342 FORMULA: C6H1O3F13S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	343 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	344 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	345 precursor_mz: 400.951157752
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	346 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	347 400.951157674091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	348
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	349 NAME: 2,4-Dibromophenol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	350 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	351 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	352 FORMULA: C6H4O1Br2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	353 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	354 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	355 precursor_mz: 250.870164948
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	356 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	357 250.870167000091 51.3993104846887
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	358 252.868120100091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	359 254.866073200091 48.6387847701716
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	360
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	361 NAME: Bisphenol A (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	362 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	363 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	364 FORMULA: C15H16O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	365 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	366 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	367 precursor_mz: 229.122305752
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	368 retention_time: 7.1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	369 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	370 229.122306204091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	371 230.125661044091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	372
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	373 NAME: Benzophenone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	374 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	375 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	376 FORMULA: C13H10O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	377 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	378 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	379 precursor_mz: 183.08044094
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	380 retention_time: 7.2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	381 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	382 183.080441392091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	383 184.083796232091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	384
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	385 NAME: Tris(1,3-dichloro-2-propyl) phosphate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	386 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	387 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	388 FORMULA: C9H15O4Cl6P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	389 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	390 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	391 precursor_mz: 428.89118767
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	392 retention_time: 7.4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	393 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	394 428.891188162091 52.0902090209021
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	395 430.888238052091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	396 432.885287942091 79.9894403379092
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	397 434.882337832091 34.1243230163836
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	398
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	399 NAME: Ibuprofen (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	400 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	401 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	402 FORMULA: C13H18O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	403 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	404 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	405 precursor_mz: 207.137955816
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	406 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	407 207.137956268091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	408 208.141311108091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	409
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	410 NAME: Ipconazole (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	411 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	412 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	413 FORMULA: C18H24N3O1Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	414 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	415 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	416 precursor_mz: 334.168066068
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	417 retention_time: 7.6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	418 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	419 334.168066580091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	420 335.171421420091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	421 336.165116470091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	422
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	423 NAME: Chlorfenvinphos (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	424 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	425 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	426 FORMULA: C12H14O4Cl3P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	427 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	428 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	429 precursor_mz: 358.976804598
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	430 retention_time: 7.4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	431 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	432 358.976805000091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	433 359.980159840091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	434 360.973854890091 95.987328405491
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	435 361.977209730091 12.4580743629486
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	436 362.970904780091 30.7118907147453
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	437
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	438 NAME: Fipronil sulfone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	439 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	440 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	441 FORMULA: C12H4N4O2Cl2F6S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	442 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	443 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	444 precursor_mz: 452.940897048
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	445 retention_time: 7.24
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	446 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	447 452.940897210091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	448 453.944252050091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	449 454.937947100091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	450 456.934996990091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	451
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	452 NAME: 2,3,4,5-Tetrachlorophenol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	453 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	454 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	455 FORMULA: C6H2O1Cl4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	456 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	457 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	458 precursor_mz: 230.893251404
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	459 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	460 230.893251976091 78.1353135313531
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	461 232.890301866091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	462 234.887351756091 47.9936642027455
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	463 236.884401646091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	464
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	465 NAME: Tris(2,3-dibromopropyl) phosphate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	466 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	467 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	468 FORMULA: C9H15O4Br6P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	469 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	470 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	471 precursor_mz: 692.58809419
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	472 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	473 694.586052402091 31.7026694196172
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	474 696.584005502091 77.0989657270331
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	475 698.581958602091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	476 700.579911702091 72.9581771552574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	477 702.577864802091 28.388776607029
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	478
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	479 NAME: Mono-2-ethylhexyl phthalate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	480 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	481 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	482 FORMULA: C16H22O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	483 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	484 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	485 precursor_mz: 279.159085184
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	486 retention_time: 8.04
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	487 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	488 279.159085636091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	489 280.162440476091 17.3051652683716
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	490
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	491 NAME: Fipronil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	492 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	493 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	494 FORMULA: C12H4N4O1Cl2F6S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	495 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	496 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	497 precursor_mz: 436.945982428
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	498 retention_time: 7.07
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	499 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	500 436.945982590091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	501 437.949337430091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	502 438.943032480091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	503 440.940082370091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	504
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	505 NAME: Perfluorooctanesulfonic acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	506 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	507 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	508 FORMULA: C8H1O3F17S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	509 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	510 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	511 precursor_mz: 500.944770632
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	512 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	513 500.944770474091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	514
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	515 NAME: 2,3,4,5-Tetrabromophenol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	516 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	517 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	518 FORMULA: C6H2O1Br4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	519 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	520 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	521 precursor_mz: 406.691189084
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	522 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	523 406.691192736091 17.6125941220095
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	524 408.689145836091 68.5324139795849
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	525 410.687098936091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	526 412.685052036091 64.8517130268955
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	527 414.683005136091 15.7715425594605
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	528
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	529 NAME: Perfluorooctanoic acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	530 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	531 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	532 FORMULA: C8H1O2F15
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	533 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	534 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	535 precursor_mz: 414.980978572
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	536 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	537 414.980978724091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	538
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	539 NAME: Triclosan (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	540 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	541 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	542 FORMULA: C12H7O2Cl3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	543 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	544 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	545 precursor_mz: 288.958438504
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	546 retention_time: 5.65
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	547 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	548 288.958439046091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	549 289.961793886091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	550 290.955488936091 95.987328405491
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	551 291.958843776091 12.4580743629486
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	552 292.952538826091 30.7118907147453
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	553
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	554 NAME: Perfluorononanoic acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	555 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	556 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	557 FORMULA: C9H1O2F17
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	558 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	559 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	560 precursor_mz: 464.977785012
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	561 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	562 464.977785124091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	563
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	564 NAME: Paclitaxel (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	565 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	566 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	567 FORMULA: C47H51N1O14
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	568 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	569 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	570 precursor_mz: 854.338231312
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	571 retention_time: 8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	572 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	573 854.338231774091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	574 855.341586614091 50.8339229758415
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	575 856.344941454091 12.6455356760887
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	576
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	577 NAME: Acetaminophen glucuronide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	578 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	579 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	580 FORMULA: C14H17N1O8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	581 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	582 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	583 precursor_mz: 328.102692504
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	584 retention_time: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	585 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	586 328.102692966091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	587 329.106047806091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	588
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	589 NAME: Lidocaine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	590 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	591 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	592 FORMULA: C14H22N2O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	593 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	594 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	595 precursor_mz: 235.180489324
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	596 retention_time: 1.7
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	597 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	598 235.180489796091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	599 236.183844636091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	600
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	601 NAME: Bis(1,3-dichloro-2-propyl) phosphate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	602 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	603 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	604 FORMULA: C6H11O4Cl4P1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	605 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	606 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	607 precursor_mz: 318.922182182
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	608 retention_time: 6.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	609 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	610 318.922182614091 78.1353135313531
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	611 320.919232504091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	612 322.916282394091 47.9936642027455
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	613 324.913332284091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	614
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	615 NAME: Irinotecan Hydrochloride Trihydrate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	616 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	617 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	618 FORMULA: C33H38N4O6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	619 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	620 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	621 precursor_mz: 587.286410936
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	622 retention_time: 6.8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	623 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	624 587.286411428091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	625 588.289766268091 35.6919033660164
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	626
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	627 NAME: 5-Azacytidine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	628 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	629 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	630 FORMULA: C8H12N4O5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	631 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	632 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	633 precursor_mz: 245.088045484
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	634 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	635 245.088045976091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	636
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	637 NAME: Dacarbazine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	638 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	639 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	640 FORMULA: C6H10N6O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	641 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	642 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	643 precursor_mz: 183.09888494
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	644 retention_time: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	645 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	646 183.098885452091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	647
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	648 NAME: 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	649 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	650 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	651 FORMULA: C4H3O1F7
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	652 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	653 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	654 precursor_mz: 201.014488256
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	655 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	656 201.014488568091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	657
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	658 NAME: Tamoxifen Citrate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	659 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	660 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	661 FORMULA: C26H29N1O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	662 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	663 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	664 precursor_mz: 372.232190548
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	665 retention_time: 7.1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	666 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	667 372.232191010091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	668 373.235545850091 28.1208935611038
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	669
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	670 NAME: Amoxicillin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	671 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	672 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	673 FORMULA: C16H19N3O5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	674 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	675 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	676 precursor_mz: 366.111817708
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	677 retention_time: 1.2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	678 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	679 366.111817920091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	680 367.115172760091 17.3051652683716
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	681
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	682 NAME: Bisphenol S Bis-b-d-Glucuronide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	683 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	684 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	685 FORMULA: C24H26O16S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	686 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	687 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	688 precursor_mz: 603.101431752
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	689 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	690 603.101431934091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	691 604.104786774091 25.9577479025574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	692
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	693 NAME: Pentafluoroethanesulfonic acid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	694 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	695 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	696 FORMULA: C2H1O3F5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	697 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	698 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	699 precursor_mz: 200.963931992
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	700 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	701 200.963932074091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	702
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	703 NAME: Crotetamide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	704 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	705 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	706 FORMULA: C12H22N2O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	707 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	708 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	709 precursor_mz: 227.175403944
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	710 retention_time: 4.2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	711 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	712 227.175404416091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	713 228.178759256091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	714
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	715 NAME: Deoxynivalenol (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	716 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	717 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	718 FORMULA: C15H20O6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	719 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	720 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	721 precursor_mz: 297.13326436
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	722 retention_time: 2.2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	723 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	724 297.133264812091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	725 298.136619652091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	726
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	727 NAME: Cotinine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	728 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	729 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	730 FORMULA: C10H12N2O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	731 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	732 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	733 precursor_mz: 177.102239004
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	734 retention_time: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	735 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	736 177.102239476091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	737 178.105594316091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	738
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	739 NAME: Hydroxycotinine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	740 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	741 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	742 FORMULA: C10H12N2O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	743 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	744 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	745 precursor_mz: 193.097153624
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	746 retention_time: 0.9
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	747 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	748 193.097154096091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	749 194.100508936091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	750
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	751 NAME: Bisphenol A b-D-Glucuronide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	752 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	753 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	754 FORMULA: C21H24O8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	755 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	756 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	757 precursor_mz: 405.154393728
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	758 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	759 405.154394180091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	760 406.157749020091 22.7130294147377
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	761
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	762 NAME: Fumonisin b1 (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	763 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	764 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	765 FORMULA: C34H59N1O15
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	766 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	767 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	768 precursor_mz: 722.395746188
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	769 retention_time: 6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	770 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	771 722.395746650091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	772 723.399101490091 36.7734761952896
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	773
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	774 NAME: Vincristine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	775 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	776 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	777 FORMULA: C46H56N4O10
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	778 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	779 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	780 precursor_mz: 825.406919992
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	781 retention_time: 5.6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	782 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	783 825.406920484091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	784 826.410275324091 49.7523501465683
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	785 827.413630164091 12.1074277749786
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	786
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	787 NAME: alpha-Hexabromocyclododecane (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	788 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	789 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	790 FORMULA: C12H18Br6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	791 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	792 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	793 precursor_mz: 636.658149176
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	794 Num Peaks: 7
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	795 638.656107528091 31.7026694196172
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	796 640.654060628091 77.0989657270331
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	797 641.657415468091 10.0065775794512
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	798 642.652013728091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	799 643.655368568091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	800 644.649966828091 72.9581771552574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	801 646.647919928091 28.388776607029
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	802
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	803 NAME: Etoposide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	804 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	805 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	806 FORMULA: C29H32O13
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	807 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	808 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	809 precursor_mz: 589.191567084
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	810 retention_time: 7.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	811 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	812 589.191567536091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	813 590.194922376091 31.3656120489235
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	814
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	815 NAME: Methotrexate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	816 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	817 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	818 FORMULA: C20H22N8O5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	819 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	820 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	821 precursor_mz: 455.178591804
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	822 retention_time: 3.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	823 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	824 455.178592336091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	825 456.181947176091 21.6314565854645
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	826
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	827 NAME: Aminopterin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	828 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	829 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	830 FORMULA: C19H20N8O5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	831 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	832 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	833 precursor_mz: 441.16294174
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	834 retention_time: 2.6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	835 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	836 441.162942272091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	837 442.166297112091 20.5498837561912
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	838
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	839 NAME: Bisphenol A sulfate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	840 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	841 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	842 FORMULA: C15H16O5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	843 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	844 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	845 precursor_mz: 309.079120612
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	846 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	847 309.079120794091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	848 310.082475634091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	849
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	850 NAME: Ciprofloxacin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	851 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	852 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	853 FORMULA: C17H18N3O3F1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	854 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	855 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	856 precursor_mz: 332.140495656
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	857 retention_time: 4.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	858 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	859 332.140496118091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	860 333.143850958091 18.3867380976448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	861
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	862 NAME: Benzo[a]anthracene (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	863 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	864 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	865 FORMULA: C18H12
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	866 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	867 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	868 precursor_mz: 229.101176384
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	869 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	870 229.101176836091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	871 230.104531676091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	872
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	873 NAME: Dibutyl decanedioate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	874 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	875 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	876 FORMULA: C18H34O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	877 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	878 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	879 precursor_mz: 315.252985568
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	880 retention_time: 7.7
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	881 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	882 315.252986020091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	883 316.256340860091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	884
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	885 NAME: Benzo[a]pyrene (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	886 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	887 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	888 FORMULA: C20H12
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	889 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	890 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	891 precursor_mz: 253.101176384
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	892 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	893 253.101176836091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	894 254.104531676091 21.6314565854645
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	895
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	896 NAME: Indeno[1,2,3-cd]pyrene (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	897 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	898 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	899 FORMULA: C22H12
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	900 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	901 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	902 precursor_mz: 277.101176384
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	903 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	904 277.101176836091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	905 278.104531676091 23.7946022440109
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	906
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	907 NAME: 2,2',4,4',5,5'-Hexachlorobiphenyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	908 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	909 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	910 FORMULA: C12H4Cl6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	911 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	912 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	913 precursor_mz: 358.851692208
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	914 Num Peaks: 6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	915 358.851692840091 52.0902090209021
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	916 360.848742730091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	917 361.852097570091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	918 362.845792620091 79.9894403379092
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	919 363.849147460091 10.3817286357905
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	920 364.842842510091 34.1243230163836
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	921
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	922 NAME: Bis(2-ethylhexyl) terephthalate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	923 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	924 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	925 FORMULA: C24H38O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	926 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	927 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	928 precursor_mz: 391.284285696
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	929 retention_time: 8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	930 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	931 391.284286148091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	932 392.287640988091 25.9577479025574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	933
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	934 NAME: Bis(2-ethylhexyl) phthalate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	935 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	936 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	937 FORMULA: C24H38O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	938 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	939 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	940 precursor_mz: 391.284285696
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	941 retention_time: 8.04
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	942 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	943 391.284286148091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	944 392.287640988091 25.9577479025574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	945
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	946 NAME: Tris(2-ethylhexyl) trimellitate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	947 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	948 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	949 FORMULA: C33H54O6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	950 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	951 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	952 precursor_mz: 547.399315448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	953 retention_time: 9.9
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	954 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	955 547.399315900091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	956 548.402670740091 35.6919033660164
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	957
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	958 NAME: Bis(2-ethylhexyl) tetrabromophthalate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	959 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	960 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	961 FORMULA: C24H34O4Br4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	962 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	963 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	964 precursor_mz: 702.926333968
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	965 Num Peaks: 8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	966 702.926337620091 17.6125941220095
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	967 704.924290720091 68.5324139795849
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	968 705.927645560091 17.7894712523576
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	969 706.922243820091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	970 707.925598660091 25.9577479025574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	971 708.920196920091 64.8517130268955
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	972 709.923551760091 16.8340441780115
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	973 710.918150020091 15.7715425594605
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	974
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	975 NAME: Abamectin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	976 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	977 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	978 FORMULA: C48H72O14
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	979 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	980 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	981 precursor_mz: 873.499482984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	982 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	983 873.499483436091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	984 874.502838276091 51.9154958051147
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	985 875.506193116091 13.1953415750491
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	986
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	987 NAME: Acetamiprid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	988 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	989 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	990 FORMULA: C10H11N4Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	991 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	992 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	993 precursor_mz: 223.074500032
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	994 retention_time: 4.13
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	995 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	996 223.074500554091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	997 224.077855394091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	998 225.071550444091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	999
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1000 NAME: Ametryn (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1001 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1002 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1003 FORMULA: C9H17N5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1004 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1005 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1006 precursor_mz: 228.127742544
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1007 retention_time: 5.66
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1008 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1009 228.127742776091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1010
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1011 NAME: Amitraz (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1012 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1013 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1014 FORMULA: C19H23N3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1015 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1016 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1017 precursor_mz: 294.196473736
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1018 retention_time: 7.97
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1019 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1020 294.196474218091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1021 295.199829058091 20.5498837561912
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1022
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1023 NAME: Azoxystrobin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1024 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1025 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1026 FORMULA: C22H17N3O5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1027 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1028 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1029 precursor_mz: 404.124096644
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1030 retention_time: 7.51
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1031 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1032 404.124097126091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1033 405.127451966091 23.7946022440109
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1034
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1035 NAME: Benalaxyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1036 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1037 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1038 FORMULA: C20H23N1O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1039 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1040 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1041 precursor_mz: 326.175069596
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1042 retention_time: 7.6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1043 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1044 326.175070058091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1045 327.178424898091 21.6314565854645
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1046
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1047 NAME: Benzoximate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1048 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1049 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1050 FORMULA: C18H18N1O5Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1051 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1052 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1053 precursor_mz: 364.094626356
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1054 retention_time: 7.68
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1055 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1056 364.094626848091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1057 365.097981688091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1058 366.091676738091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1059
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1060 NAME: Boscalid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1061 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1062 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1063 FORMULA: C18H12N2O1Cl2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1064 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1065 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1066 precursor_mz: 343.039944364
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1067 retention_time: 7.4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1068 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1069 343.039944896091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1070 344.043299736091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1071 345.036994786091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1072 346.040349626091 12.4580743629486
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1073 347.034044676091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1074
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1075 NAME: Butafenacil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1076 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1077 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1078 FORMULA: C20H18N2O6Cl1F3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1079 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1080 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1081 precursor_mz: 475.087824636
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1082 retention_time: 7.31
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1083 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1084 475.087825078091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1085 476.091179918091 21.6314565854645
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1086 477.084874968091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1087
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1088 NAME: Carbetamide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1089 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1090 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1091 FORMULA: C12H16N2O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1092 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1093 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1094 precursor_mz: 237.123368372
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1095 retention_time: 4.92
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1096 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1097 237.123368844091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1098 238.126723684091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1099
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1100 NAME: Carfentrazone ethyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1101 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1102 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1103 FORMULA: C15H14N3O3Cl2F3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1104 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1105 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1106 precursor_mz: 412.043707328
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1107 retention_time: 7.43
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1108 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1109 412.043707810091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1110 413.047062650091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1111 414.040757700091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1112 415.044112540091 10.3817286357905
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1113 416.037807590091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1114
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1115 NAME: Chlorantraniliprole (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1116 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1117 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1118 FORMULA: C18H14N5O2Br1Cl2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1119 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1120 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1121 precursor_mz: 481.978068148
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1122 retention_time: 7.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1123 Num Peaks: 9
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1124 481.978069510091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1125 482.981424350091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1126 483.975119400091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1127 483.976022610091 97.2775695403433
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1128 484.978474240091 12.4580743629486
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1129 484.979377450091 18.9382997002629
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1130 485.972169290091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1131 485.973072500091 62.2494267597128
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1132 486.976427340091 12.118911951805
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1133
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1134 NAME: Clofentezine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1135 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1136 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1137 FORMULA: C14H8N4Cl2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1138 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1139 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1140 precursor_mz: 303.019877616
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1141 retention_time: 7.93
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1142 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1143 303.019878168091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1144 304.023233008091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1145 305.016928058091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1146 307.013977948091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1147
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1148 NAME: Cymoxanil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1149 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1150 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1151 FORMULA: C7H10N4O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1152 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1153 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1154 precursor_mz: 199.08256618
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1155 retention_time: 3.61
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1156 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1157 199.082566672091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1158
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1159 NAME: Cyprodinil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1160 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1161 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1162 FORMULA: C14H15N3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1163 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1164 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1165 precursor_mz: 226.13387348
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1166 retention_time: 7.39
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1167 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1168 226.133873962091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1169 227.137228802091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1170
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1171 NAME: Cyromazine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1172 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1173 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1174 FORMULA: C6H10N6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1175 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1176 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1177 precursor_mz: 167.10397032
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1178 retention_time: 0.81
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1179 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1180 167.103970832091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1181
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1182 NAME: Dimoxystrobin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1183 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1184 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1185 FORMULA: C19H22N2O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1186 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1187 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1188 precursor_mz: 327.170318564
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1189 retention_time: 7.58
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1190 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1191 327.170319036091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1192 328.173673876091 20.5498837561912
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1193
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1194 NAME: Dinotefuran (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1195 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1196 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1197 FORMULA: C7H14N4O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1198 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1199 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1200 precursor_mz: 203.113866308
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1201 retention_time: 1.54
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1202 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1203 203.113866800091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1204
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1205 NAME: Doramectin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1206 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1207 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1208 FORMULA: C50H74O14
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1209 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1210 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1211 precursor_mz: 899.515133048
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1212 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1213 899.515133500091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1214 900.518488340091 54.0786414636612
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1215 901.521843180091 14.3300473665205
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1216
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1217 NAME: Eprinomectin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1218 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1219 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1220 FORMULA: C49H73N1O14
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1221 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1222 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1223 precursor_mz: 900.510382016
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1224 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1225 900.510382478091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1226 901.513737318091 52.997068634388
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1227 902.517092158091 13.7568454718597
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1228
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1229 NAME: Famoxadon (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1230 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1231 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1232 FORMULA: C22H18N2O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1233 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1234 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1235 precursor_mz: 375.133933056
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1236 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1237 375.133933528091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1238 376.137288368091 23.7946022440109
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1239
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1240 NAME: Fenazaquin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1241 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1242 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1243 FORMULA: C20H22N2O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1244 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1245 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1246 precursor_mz: 307.180489324
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1247 retention_time: 9.68
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1248 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1249 307.180489796091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1250 308.183844636091 21.6314565854645
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1252 NAME: Fenhexamid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1253 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1254 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1255 FORMULA: C14H17N1O2Cl2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1256 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1257 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1258 precursor_mz: 302.070910144
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1259 retention_time: 7.28
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1260 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1261 302.070910666091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1262 303.074265506091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1263 304.067960556091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1264 306.065010446091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1265
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1266 NAME: Fenpyroximate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1267 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1268 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1269 FORMULA: C24H27N3O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1270 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1271 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1272 precursor_mz: 422.207432344
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1273 retention_time: 8.51
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1274 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1275 422.207432826091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1276 423.210787666091 25.9577479025574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1277
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1278 NAME: Flonicamid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1279 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1280 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1281 FORMULA: C9H6N3O1F3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1282 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1283 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1284 precursor_mz: 230.053572472
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1285 retention_time: 1.75
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1286 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1287 230.053572894091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1288
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1289 NAME: Fluazinam (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1290 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1291 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1292 FORMULA: C13H4N4O4Cl2F6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1293 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1294 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1295 precursor_mz: 464.958655288
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1296 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1297 464.958655720091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1298 465.962010560091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1299 466.955705610091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1300 468.952755500091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1301
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1302 NAME: Fludioxonil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1303 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1304 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1305 FORMULA: C12H6N2O2F2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1306 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1307 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1308 precursor_mz: 249.047009872
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1309 retention_time: 7.07
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1310 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1311 249.047010304091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1312 250.050365144091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1313
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1314 NAME: Fluoxastrobin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1315 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1316 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1317 FORMULA: C21H16N4O5Cl1F1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1318 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1319 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1320 precursor_mz: 459.086601512
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1321 retention_time: 7.62
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1322 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1323 459.086602014091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1324 460.089956854091 22.7130294147377
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1325 461.083651904091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1326
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1327 NAME: Flutolanil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1328 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1329 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1330 FORMULA: C17H16N1O2F3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1331 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1332 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1333 precursor_mz: 324.120589412
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1334 retention_time: 7.01
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1335 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1336 324.120589814091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1337 325.123944654091 18.3867380976448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1338
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1339 NAME: Furalaxyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1340 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1341 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1342 FORMULA: C17H19N1O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1343 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1344 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1345 precursor_mz: 302.138684088
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1346 retention_time: 7.04
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1347 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1348 302.138684550091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1349 303.142039390091 18.3867380976448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1350
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1351 NAME: Halofenozide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1352 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1353 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1354 FORMULA: C18H19N2O2Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1355 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1356 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1357 precursor_mz: 331.120781528
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1358 retention_time: 7.09
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1359 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1360 331.120782030091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1361 332.124136870091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1362 333.117831920091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1363
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1364 NAME: Imazalil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1365 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1366 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1367 FORMULA: C14H14N2O1Cl2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1368 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1369 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1370 precursor_mz: 297.055594428
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1371 retention_time: 5.14
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1372 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1373 297.055594960091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1374 298.058949800091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1375 299.052644850091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1376 301.049694740091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1377
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1378 NAME: Imidacloprid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1379 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1380 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1381 FORMULA: C9H10N5O2Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1382 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1383 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1384 precursor_mz: 256.05957824
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1385 retention_time: 3.88
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1386 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1387 256.059578772091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1388 258.056628662091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1389
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1390 NAME: Ivermectin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1391 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1392 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1393 FORMULA: C48H74O14
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1394 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1395 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1396 precursor_mz: 875.515133048
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1397 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1398 875.515133500091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1399 876.518488340091 51.9154958051147
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1400 877.521843180091 13.1953415750491
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1401
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1402 NAME: Kresoxim methyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1403 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1404 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1405 FORMULA: C18H19N1O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1406 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1407 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1408 precursor_mz: 314.138684088
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1409 retention_time: 7.6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1410 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1411 314.138684550091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1412 315.142039390091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1413
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1414 NAME: Mandipropamid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1415 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1416 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1417 FORMULA: C23H22N1O4Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1418 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1419 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1420 precursor_mz: 412.131011864
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1421 retention_time: 7.54
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1422 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1423 412.131012356091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1424 413.134367196091 24.8761750732841
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1425 414.128062246091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1426
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1427 NAME: Mepanipyrim (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1428 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1429 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1430 FORMULA: C14H13N3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1431 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1432 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1433 precursor_mz: 224.118223416
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1434 retention_time: 7.5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1435 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1436 224.118223898091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1437 225.121578738091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1438
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1439 NAME: Mepronil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1440 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1441 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1442 FORMULA: C17H19N1O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1443 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1444 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1445 precursor_mz: 270.148854848
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1446 retention_time: 7.26
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1447 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1448 270.148855310091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1449 271.152210150091 18.3867380976448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1450
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1451 NAME: Metaflumizone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1452 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1453 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1454 FORMULA: C24H16N4O2F6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1455 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1456 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1457 precursor_mz: 507.125021072
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1458 retention_time: 7.64
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1459 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1460 507.125021444091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1461 508.128376284091 25.9577479025574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1462
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1463 NAME: Metalaxyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1464 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1465 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1466 FORMULA: C15H21N1O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1467 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1468 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1469 precursor_mz: 280.154334152
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1470 retention_time: 6.64
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1471 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1472 280.154334614091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1473 281.157689454091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1474
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1475 NAME: Methoxyfenozide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1476 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1477 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1478 FORMULA: C22H28N2O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1479 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1480 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1481 precursor_mz: 369.217268756
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1482 retention_time: 7.21
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1483 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1484 369.217269228091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1485 370.220624068091 23.7946022440109
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1486
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1487 NAME: Moxidectin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1488 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1489 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1490 FORMULA: C37H53N1O8
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1491 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1492 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1493 precursor_mz: 640.384393656
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1494 retention_time: 8.67
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1495 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1496 640.384394118091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1497 641.387748958091 40.0181946831093
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1498
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1499 NAME: Myclobutanil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1500 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1501 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1502 FORMULA: C15H17N4Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1503 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1504 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1505 precursor_mz: 289.121450224
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1506 retention_time: 7.08
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1507 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1508 289.121450746091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1509 290.124805586091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1510 291.118500636091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1511
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1512 NAME: Nitenpyram (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1513 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1514 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1515 FORMULA: C11H15N4O2Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1516 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1517 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1518 precursor_mz: 271.0956294
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1519 retention_time: 1.69
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1520 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1521 271.095629922091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1522 272.098984762091 11.8973011220055
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1523 273.092679812091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1524
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1525 NAME: Oxadixyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1526 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1527 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1528 FORMULA: C14H18N2O4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1529 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1530 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1531 precursor_mz: 279.133933056
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1532 retention_time: 5.4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1533 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1534 279.133933528091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1535 280.137288368091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1536
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1537 NAME: Picoxystrobin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1538 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1539 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1540 FORMULA: C18H16N1O4F3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1541 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1542 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1543 precursor_mz: 368.110418652
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1544 retention_time: 7.33
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1545 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1546 368.110419054091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1547 369.113773894091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1548
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1549 NAME: Piperonyl butoxide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1550 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1551 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1552 FORMULA: C19H30O5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1553 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1554 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1555 precursor_mz: 339.21660006
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1556 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1557 339.216600512091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1558 340.219955352091 20.5498837561912
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1559
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1560 NAME: Prochloraz (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1561 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1562 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1563 FORMULA: C15H16N3O2Cl3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1564 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1565 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1566 precursor_mz: 376.038085792
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1567 retention_time: 7.67
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1568 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1569 376.038086364091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1570 377.041441204091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1571 378.035136254091 95.987328405491
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1572 379.038491094091 15.5725929536857
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1573 380.032186144091 30.7118907147453
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1574
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1575 NAME: Prometon (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1576 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1577 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1578 FORMULA: C10H19N5O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1579 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1580 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1581 precursor_mz: 226.166236228
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1582 retention_time: 4.22
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1583 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1584 226.166236730091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1585 227.169591570091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1586
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1587 NAME: Pymetrozine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1588 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1589 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1590 FORMULA: C10H11N5O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1591 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1592 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1593 precursor_mz: 218.103635972
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1594 retention_time: 1.47
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1595 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1596 218.103636474091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1597 219.106991314091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1598
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1599 NAME: Pyracarbolid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1600 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1601 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1602 FORMULA: C13H15N1O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1603 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1604 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1605 precursor_mz: 218.11755472
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1606 retention_time: 5.83
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1607 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1608 218.117555182091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1609 219.120910022091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1610
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1611 NAME: Pyrimethanil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1612 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1613 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1614 FORMULA: C12H13N3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1615 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1616 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1617 precursor_mz: 200.118223416
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1618 retention_time: 6.88
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1619 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1620 200.118223898091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1621 201.121578738091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1622
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1623 NAME: Pyriproxyfen (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1624 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1625 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1626 FORMULA: C20H19N1O3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1627 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1628 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1629 precursor_mz: 322.143769468
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1630 retention_time: 8.01
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1631 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1632 322.143769930091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1633 323.147124770091 21.6314565854645
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1634
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1635 NAME: Quinoxyfen (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1636 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1637 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1638 FORMULA: C15H8N1O1Cl2F1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1639 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1640 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1641 precursor_mz: 308.003973456
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1642 retention_time: 8.34
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1643 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1644 308.003973958091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1645 309.007328798091 16.2235924390984
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1646 310.001023848091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1647 311.004378688091 10.3817286357905
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1648 311.998073738091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1649
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1650 NAME: Rotenone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1651 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1652 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1653 FORMULA: C23H22O6
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1654 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1655 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1656 precursor_mz: 395.148914424
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1657 retention_time: 8.44
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1658 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1659 395.148914876091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1660 396.152269716091 24.8761750732841
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1661
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1662 NAME: Secbumeton (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1663 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1664 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1665 FORMULA: C10H19N5O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1666 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1667 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1668 precursor_mz: 226.166236228
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1669 retention_time: 4.22
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1670 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1671 226.166236730091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1672 227.169591570091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1673
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1674 NAME: Spiroxamine (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1675 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1676 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1677 FORMULA: C18H35N1O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1678 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1679 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1680 precursor_mz: 298.27405536
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1681 retention_time: 5.76
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1682 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1683 298.274055822091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1684 299.277410662091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1685
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1686 NAME: Tebufenozide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1687 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1688 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1689 FORMULA: C22H28N2O2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1690 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1691 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1692 precursor_mz: 353.222354136
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1693 retention_time: 7.29
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1694 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1695 353.222354608091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1696 354.225709448091 23.7946022440109
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1697
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1698 NAME: Tebufenpyrad (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1699 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1700 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1701 FORMULA: C18H24N3O1Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1702 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1703 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1704 precursor_mz: 334.168066068
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1705 retention_time: 7.71
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1706 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1707 334.168066580091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1708 335.171421420091 19.468310926918
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1709 336.165116470091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1710
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1711 NAME: Terbumeton (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1712 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1713 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1714 FORMULA: C10H19N5O1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1715 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1716 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1717 precursor_mz: 226.166236228
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1718 retention_time: 4.22
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1719 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1720 226.166236730091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1721 227.169591570091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1722
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1723 NAME: Triadimefon (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1724 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1725 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1726 FORMULA: C14H16N3O2Cl1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1727 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1728 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1729 precursor_mz: 294.100380432
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1730 retention_time: 7.19
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1731 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1732 294.100380944091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1733 295.103735784091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1734 296.097430834091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1735
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1736 NAME: Trifloxystrobin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1737 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1738 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1739 FORMULA: C20H19N2O4F3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1740 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1741 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1742 precursor_mz: 409.136967748
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1743 retention_time: 7.58
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1744 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1745 409.136968160091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1746 410.140323000091 21.6314565854645
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1747
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1748 NAME: Zoxamide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1749 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1750 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1751 FORMULA: C14H16N1O2Cl3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1752 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1753 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1754 precursor_mz: 336.031937792
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1755 retention_time: 7.57
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1756 Num Peaks: 5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1757 336.031938344091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1758 337.035293184091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1759 338.028988234091 95.987328405491
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1760 339.032343074091 14.5344200901067
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1761 340.026038124091 30.7118907147453
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1762
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1763 NAME: Acibenzolar-S-methyl (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1764 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1765 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1766 FORMULA: C8H6N2O1S2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1767 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1768 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1769 precursor_mz: 210.999430812
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1770 retention_time: 7.84
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1771 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1772 210.999430744091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1773
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1774 NAME: Bupirimate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1775 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1776 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1777 FORMULA: C13H24N4O3S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1778 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1779 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1780 precursor_mz: 317.164187628
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1781 retention_time: 7.1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1782 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1783 317.164187850091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1784 318.167542690091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1785
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1786 NAME: Buprofezin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1787 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1788 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1789 FORMULA: C16H23N3O1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1790 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1791 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1792 precursor_mz: 306.163459356
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1793 retention_time: 7.55
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1794 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1795 306.163459568091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1796 307.166814408091 17.3051652683716
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1797
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1798 NAME: Carboxin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1799 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1800 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1801 FORMULA: C12H13N1O2S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1802 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1803 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1804 precursor_mz: 236.073975656
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1805 retention_time: 6.69
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1806 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1807 236.073975848091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1808 237.077330688091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1809
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1810 NAME: Clethodim (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1811 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1812 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1813 FORMULA: C17H26N1O3Cl1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1814 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1815 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1816 precursor_mz: 360.139468372
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1817 retention_time: 7.81
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1818 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1819 360.139468594091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1820 361.142823434091 18.3867380976448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1821 362.136518484091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1822
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1823 NAME: Clothianidin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1824 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1825 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1826 FORMULA: C6H8N5O2Cl1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1827 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1828 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1829 precursor_mz: 250.015999176
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1830 retention_time: 3.5
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1831 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1832 250.015999438091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1833 252.013049328091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1834
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1835 NAME: Cyazofamid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1836 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1837 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1838 FORMULA: C13H13N4O2Cl1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1839 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1840 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1841 precursor_mz: 325.052050336
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1842 retention_time: 7.4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1843 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1844 325.052050588091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1845 326.055405428091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1846 327.049100478091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1847
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1848 NAME: Ethiprole (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1849 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1850 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1851 FORMULA: C13H9N4O1Cl2F3S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1852 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1853 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1854 precursor_mz: 396.989897928
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1855 retention_time: 6.87
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1856 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1857 396.989898150091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1858 397.993252990091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1859 398.986948040091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1860 400.983997930091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1861
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1862 NAME: Ethofumesate (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1863 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1864 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1865 FORMULA: C13H18O5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1866 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1867 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1868 precursor_mz: 287.094770676
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1869 retention_time: 6.95
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1870 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1871 287.094770858091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1872 288.098125698091 14.0604467805519
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1873
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1874 NAME: Fenamidone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1875 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1876 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1877 FORMULA: C17H17N3O1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1878 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1879 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1880 precursor_mz: 312.116509164
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1881 retention_time: 7.28
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1882 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1883 312.116509376091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1884 313.119864216091 18.3867380976448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1885
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1886 NAME: Fipronil (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1887 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1888 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1889 FORMULA: C12H4N4O1Cl2F6S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1890 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1891 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1892 precursor_mz: 436.945982428
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1893 retention_time: 7.08
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1894 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1895 436.945982590091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1896 437.949337430091 12.9788739512787
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1897 438.943032480091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1898 440.940082370091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1899
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1900 NAME: Flubendiamide (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1901 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1902 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1903 FORMULA: C23H22N2O4F7I1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1904 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1905 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1906 precursor_mz: 683.030599724
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1907 retention_time: 7.31
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1908 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1909 683.030599786091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1910 684.033954626091 24.8761750732841
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1911
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1912 NAME: Flufenacet (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1913 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1914 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1915 FORMULA: C14H13N3O2F4S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1916 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1917 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1918 precursor_mz: 364.073736536
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1919 retention_time: 7.14
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1920 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1921 364.073736668091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1922 365.077091508091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1923
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1924 NAME: Hexythiazox (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1925 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1926 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1927 FORMULA: C17H21N2O2Cl1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1928 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1929 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1930 precursor_mz: 353.108502592
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1931 retention_time: 8.01
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1932 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1933 353.108502824091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1934 354.111857664091 18.3867380976448
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1935 355.105552714091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1936
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1937 NAME: Mefenacet (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1938 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1939 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1940 FORMULA: C16H14N2O2S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1941 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1942 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1943 precursor_mz: 299.084874688
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1944 retention_time: 7.73
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1945 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1946 299.084874890091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1947 300.088229730091 17.3051652683716
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1948
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1949 NAME: Mesotrione (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1950 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1951 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1952 FORMULA: C14H13N1O7S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1953 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1954 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1955 precursor_mz: 340.048548756
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1956 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1957 340.048548948091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1958 341.051903788091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1959
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1960 NAME: Methoprotryne (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1961 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1962 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1963 FORMULA: C11H21N5O1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1964 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1965 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1966 precursor_mz: 272.153957292
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1967 retention_time: 6.34
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1968 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1969 272.153957524091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1970 273.157312364091 11.8973011220055
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1971
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1972 NAME: Metribuzin (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1973 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1974 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1975 FORMULA: C8H14N4O1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1976 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1977 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1978 precursor_mz: 215.096108068
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1979 retention_time: 5.56
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1980 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1981 215.096108290091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1982
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1983 NAME: Prometryne (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1984 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1985 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1986 FORMULA: C10H19N5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1987 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1988 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1989 precursor_mz: 242.143392608
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1990 retention_time: 6.31
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1991 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1992 242.143392840091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1993 243.146747680091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1994
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1995 NAME: Propargite (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1996 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1997 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1998 FORMULA: C19H26O4S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	1999 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2000 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2001 precursor_mz: 351.162456312
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2002 retention_time: 7.69
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2003 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2004 351.162456494091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2005 352.165811334091 20.5498837561912
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2006
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2007 NAME: Prothioconazole (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2008 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2009 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2010 FORMULA: C14H15N3O1Cl2S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2011 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2012 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2013 precursor_mz: 344.03856446
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2014 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2015 344.038564732091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2016 345.041919572091 15.1420196098251
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2017 346.035614622091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2018 348.032664512091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2019
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2020 NAME: Pyridaben (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2021 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2022 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2023 FORMULA: C19H25N2O1Cl1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2024 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2025 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2026 precursor_mz: 365.1448881
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2027 retention_time: 8.08
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2028 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2029 365.144888332091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2030 366.148243172091 20.5498837561912
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2031 367.141938222091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2032
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2033 NAME: Simetryn (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2034 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2035 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2036 FORMULA: C8H15N5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2037 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2038 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2039 precursor_mz: 214.11209248
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2040 retention_time: 4.97
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2041 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2042 214.112092712091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2043
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2044 NAME: Sulfentrazone (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2045 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2046 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2047 FORMULA: C11H10N4O3Cl2F2S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2048 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2049 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2050 precursor_mz: 386.98914898
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2051 retention_time: 5.92
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2052 Num Peaks: 4
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2053 386.989149222091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2054 387.992504062091 11.8973011220055
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2055 388.986199112091 63.9915522703273
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2056 390.983249002091 10.2372969049151
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2057
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2058 NAME: Terbutryn (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2059 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2060 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2061 FORMULA: C10H19N5S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2062 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2063 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2064 precursor_mz: 242.143392608
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2065 retention_time: 6.31
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2066 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2067 242.143392840091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2068 243.146747680091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2069
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2070 NAME: Thiabendazole (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2071 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2072 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2073 FORMULA: C10H7N3S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2074 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2075 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2076 precursor_mz: 202.043344224
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2077 retention_time: 3.3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2078 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2079 202.043344436091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2080 203.046699276091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2081
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2082 NAME: Thiacloprid (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2083 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2084 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2085 FORMULA: C10H9N4Cl1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2086 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2087 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2088 precursor_mz: 253.030920968
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2089 retention_time: 5.32
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2090 Num Peaks: 3
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2091 253.030921220091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2092 254.034276060091 10.8157282927322
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2093 255.027971110091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2094
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2095 NAME: Thiamethoxam (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2096 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2097 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2098 FORMULA: C8H10N5O3Cl1S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2099 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2100 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2101 precursor_mz: 292.02656386
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2102 retention_time: 2.88
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2103 Num Peaks: 2
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2104 292.026564122091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2105 294.023614012091 31.9957761351637
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2106
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2107 NAME: Thiofanox (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2108 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2109 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2110 FORMULA: C9H18N2O2S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2111 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2112 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2113 precursor_mz: 219.116174816
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2114 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2115 219.116175018091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2116
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2117 NAME: Tricyclazole (M+H)
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2118 msLevel: MS1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2119 PRECURSORTYPE: [M+H]+
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2120 FORMULA: C9H7N3S1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2121 charge: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2122 ionization_mode: positive
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2123 precursor_mz: 190.043344224
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2124 Num Peaks: 1
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2125 190.043344436091 100
f0fe957df1cc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 148c6b04fff1cedd890d33e98d4fd787026a8628 recetox parents: diff changeset	2126

Mercurial > repos > recetox > isolib

annotate test-data/test8.msp @ 6:f0fe957df1cc draft