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view test-data/compounds_pos.txt @ 6:77abacd33c31 draft

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planemo upload commit 1f791337b9b8f08326c01bf4799f50493ef54f80
author workflow4metabolomics
date Fri, 30 Sep 2022 16:18:56 +0000
parents 856001213966
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Compound_name	mz	rtsec	inchikey	elemcomposition
2-diethylamino-6-methyl pyrimidin-4-ol one	182.12879	345.0		
5-hydroxy-thiabendazole	218.03826	315.0		
acetamiprid-N-desmethyl	209.05885	526.2		
Acetochlor	270.12554	1158.6		
Avermectin B1a (Abamectin)	895.49221	1663.8		
Benzophenone-3 (Oxybenzone)	229.08592	1178.4		
Butocarboxim	191.0849	1267.8		
Carbendazim	192.07676	339.0		
Cefoperazone	646.1497	1755.0		
Chlorfenvinphos	358.97681	1255.8		
Chlormequat	122.0737	54.0		
Desisopropylatrazine	174.0541	399.0		
Dichlorvos	220.9532	763.2		
Dimethyldithiophosphate	158.96979	615.0		
Emamectin B1a	886.5311	1663.8		
Fluopyram	397.05369	1161.0		
Hydroxy-tebuconazole	324.14733	1098.6		
Isoproturon	207.14919	936.0		
Ivermectin B1a 	897.4971	1650.0		
Malathion dicarboxilic acid	274.98075	574.8		
Methamidophos	142.0086	139.2		
Metolachlor	284.14119	1158.0		
N,N-diethyl-m-toluamide ou DEET	192.13829	945.0		
Nigericin	747.4654	1663.8		
Omethoate	214.02975	237.0		
Prochloraz	376.03809	1271.4		
p-Toluenesulfonamide	172.04323	393.0		
Rifaximin	786.3596	1183.2		
Spinosad A (Spinosyn A)	732.4681	1212.0		
TCMTB	238.9766	1032.0		
Trichlorfon (Dylox)	256.9299	444.0		
Tylosin	916.5264	909.0