diff test-data/compounds_pos_old_format.txt @ 4:856001213966 draft

planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
author workflow4metabolomics
date Wed, 06 Jul 2022 10:38:39 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/compounds_pos_old_format.txt	Wed Jul 06 10:38:39 2022 +0000
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+Compounds	mz	rt
+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