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annotate test-data/compounds_pos.txt @ 0:67733206be53 draft

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" master branch Updating"
author lain
date Thu, 14 Apr 2022 10:23:15 +0000
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1 Compounds mz rt
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2 2-diethylamino-6-methyl pyrimidin-4-ol one 182.12879 5.75
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3 5-hydroxy-thiabendazole 218.03826 5.25
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4 acetamiprid-N-desmethyl 209.05885 8.77
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5 Acetochlor 270.12554 19.31
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6 Avermectin B1a (Abamectin) 895.49221 27.73
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7 Benzophenone-3 (Oxybenzone) 229.08592 19.64
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8 Butocarboxim 191.0849 21.13
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9 Carbendazim 192.07676 5.65
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10 Cefoperazone 646.1497 29.25
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11 Chlorfenvinphos 358.97681 20.93
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12 Chlormequat 122.0737 0.9
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13 Desisopropylatrazine 174.0541 6.65
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14 Dichlorvos 220.9532 12.72
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15 Dimethyldithiophosphate 158.96979 10.25
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16 Emamectin B1a 886.5311 27.73
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17 Fluopyram 397.05369 19.35
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18 Hydroxy-tebuconazole 324.14733 18.31
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19 Isoproturon 207.14919 15.6
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20 Ivermectin B1a 897.4971 27.5
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21 Malathion dicarboxilic acid 274.98075 9.58
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22 Methamidophos 142.0086 2.32
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23 Metolachlor 284.14119 19.3
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24 N,N-diethyl-m-toluamide ou DEET 192.13829 15.75
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25 Nigericin 747.4654 27.73
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26 Omethoate 214.02975 3.95
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27 Prochloraz 376.03809 21.19
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28 p-Toluenesulfonamide 172.04323 6.55
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29 Rifaximin 786.3596 19.72
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30 Spinosad A (Spinosyn A) 732.4681 20.2
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31 TCMTB 238.9766 17.2
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32 Trichlorfon (Dylox) 256.9299 7.4
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33 Tylosin 916.5264 15.15