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view test-data/lc_markers_neg.tsv @ 0:8a1893635ac0 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 019a1087adb6bd570eada9ce1d7d6fcd6d55bff8
author recetox
date Tue, 23 Apr 2024 06:39:20 +0000
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children b3251a7dae25
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formula	name	rt
C8H6Cl2O3	2,4-Dichlorophenoxyacetic acid ou 2,4-D	484.2
C9H15N3O1	2-diethylamino-6-methyl pyrimidin-4-ol/one	451.8
C5H2Cl3N1O1	3,5,6-Trichloro-2-pyridinol	499.2
C13H10O3	3-phenoxybenzoic acid	517.8
C13H9FO3	4-Fluoro-3-phenoxybenzoic acid	532.2
C6H5NO3	4-nitrophenol	165
C6H4Cl1N1O2	6-Chloronicotinic acid	172.2
C19H28N2O5S	Acetochlor mercapturate	607.2
C19H28N2O5S1	Alachlor mercapturate	607.2
C10H12N2O3S1	Bentazone	747.6
C4H11O3P1S1	Diethylthiophosphate	177
C14H17Cl2NO2	Fenhexamid	689.4
C11H13ClO2	Fenvalerate free acid	585
C12H4Cl2F6N4OS	Fipronil	750
C12H4Cl2F6N4O2S	Fipronil sulfone	771
C16H22ClN3O2	Hydroxy-tebuconazole	696.6
C16H11ClF6N2O	Fluopyram	725.4
C10H11Cl1O3	Mecoprop	544.8
C7H9NO2S	p-Toluenesulfonamide	362.4
C12H7Cl3O2	Triclosan	811.8
C18H15Cl3O8	Triclosan glucuronide	665.4
C12H7Cl3O5S	Triclosan sulfate	695.4
C9H9N4Cl	acetamiprid-N-desmethyl	402.6