1 | CCMSLIB00001058205 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_3-Hydroxycarbofuran_C12H15NO4_3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate) | M+H | 238.11 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DCC%3DC2)OC(%3DO)NC)O)C&inchi=InChI%3D1S%2FC12H15NO4%2Fc1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3%2Fh4-6%2C10%2C14H%2C1-3H3%2C(H%2C13%2C15)&width=350&height=250) |
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2 | CCMSLIB00001058207 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_3-Hydroxycarbofuran_C12H15NO4_3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate) | M-H2O+H | 220.10 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DCC%3DC2)OC(%3DO)NC)O)C&inchi=InChI%3D1S%2FC12H15NO4%2Fc1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3%2Fh4-6%2C10%2C14H%2C1-3H3%2C(H%2C13%2C15)&width=350&height=250) |
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3 | CCMSLIB00001058209 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Dioxacarb_C11H13NO4_Phenol, 2-(1,3-dioxolan-2-yl)-, methylcarbamate | M+H | 224.09 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | OC1%3DCC%3DCC%3DC1C2OCCO2&inchi=InChI%3D1S%2FC11H13NO4%2Fc1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10%2Fh2-5%2C10H%2C6-7H2%2C1H3%2C(H%2C12%2C13)&width=350&height=250) |
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4 | CCMSLIB00001058211 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N'-phenyl- | M+H | 165.10 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DO)NC1%3DCC%3DCC%3DC1&inchi=InChI%3D1S%2FC9H12N2O%2Fc1-11(2)9(12)10-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3%2C(H%2C10%2C12)&width=350&height=250) |
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5 | CCMSLIB00001058213 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N'-phenyl- | M+NH4 | 182.13 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DO)NC1%3DCC%3DCC%3DC1&inchi=InChI%3D1S%2FC9H12N2O%2Fc1-11(2)9(12)10-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3%2C(H%2C10%2C12)&width=350&height=250) |
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6 | CCMSLIB00001058217 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Propoxur_C11H15NO3_Baygon | M+H | 210.11 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | OC1%3DCC%3DCC%3DC1OC(%3DO)NC&inchi=InChI%3D1S%2FC11H15NO3%2Fc1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3%2Fh4-8H%2C1-3H3%2C(H%2C12%2C13)&width=350&height=250) |
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7 | CCMSLIB00001058220 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Carbofuran_C12H15NO3_Furadan | M+H | 222.11 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DCC%3DC2)OC(%3DO)NC)C&inchi=InChI%3D1S%2FC12H15NO3%2Fc1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3%2Fh4-6H%2C7H2%2C1-3H3%2C(H%2C13%2C14)&width=350&height=250) |
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8 | CCMSLIB00001058221 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Pirimicarb_C11H18N4O2_2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate | M+H | 239.15 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | N(C)C)N(C)C)C&inchi=InChI%3D1S%2FC11H18N4O2%2Fc1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6%2Fh1-6H3&width=350&height=250) |
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9 | CCMSLIB00001058223 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Fluometuron_C10H11F3N2O_Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- | M+H | 233.09 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DO)NC1%3DCC%3DCC(%3DC1)C(F)(F)F&inchi=InChI%3D1S%2FC10H11F3N2O%2Fc1-15(2)9(16)14-8-5-3-4-7(6-8)10(11%2C12)13%2Fh3-6H%2C1-2H3%2C(H%2C14%2C16)&width=350&height=250) |
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10 | CCMSLIB00001058225 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Isoprocarb_C11H15NO2_2-Isopropylphenyl methylcarbamate | M+H | 194.12 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C1%3DCC%3DCC%3DC1OC(%3DO)NC&inchi=InChI%3D1S%2FC11H15NO2%2Fc1-8(2)9-6-4-5-7-10(9)14-11(13)12-3%2Fh4-8H%2C1-3H3%2C(H%2C12%2C13)&width=350&height=250) |
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11 | CCMSLIB00001058227 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Monolinuron_C9H11ClN2O2_Urea, N'-(4-chlorophenyl)-N-methoxy-N-methyl- | M+H | 215.06 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | NC1%3DCC%3DC(C%3DC1)Cl)OC&inchi=InChI%3D1S%2FC9H11ClN2O2%2Fc1-12(14-2)9(13)11-8-5-3-7(10)4-6-8%2Fh3-6H%2C1-2H3%2C(H%2C11%2C13)&width=350&height=250) |
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12 | CCMSLIB00001058229 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Forchlorfenuron_C12H10ClN3O_Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl- | M+H | 248.06 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | NC(%3DO)NC2%3DCC(%3DNC%3DC2)Cl&inchi=InChI%3D1S%2FC12H10ClN3O%2Fc13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9%2Fh1-8H%2C(H2%2C14%2C15%2C16%2C17)&width=350&height=250) |
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13 | CCMSLIB00001058231 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Metobromuron_C9H11BrN2O2_Urea, N'-(4-bromophenyl)-N-methoxy-N-methyl- | M+H | 259.01 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | NC1%3DCC%3DC(C%3DC1)Br)OC&inchi=InChI%3D1S%2FC9H11BrN2O2%2Fc1-12(14-2)9(13)11-8-5-3-7(10)4-6-8%2Fh3-6H%2C1-2H3%2C(H%2C11%2C13)&width=350&height=250) |
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14 | CCMSLIB00001058234 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Chlorotoluron_C10H13ClN2O_Urea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl- | M+H | 213.08 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | NC(%3DO)N(C)C)Cl&inchi=InChI%3D1S%2FC10H13ClN2O%2Fc1-7-4-5-8(6-9(7)11)12-10(14)13(2)3%2Fh4-6H%2C1-3H3%2C(H%2C12%2C14)&width=350&height=250) |
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15 | CCMSLIB00001058236 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Isoproturon_C12H18N2O_Arelon | M+H | 207.15 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C1%3DCC%3DC(C%3DC1)NC(%3DO)N(C)C&inchi=InChI%3D1S%2FC12H18N2O%2Fc1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4%2Fh5-9H%2C1-4H3%2C(H%2C13%2C15)&width=350&height=250) |
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16 | CCMSLIB00001058239 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Fenobucarb_C12H17NO2_Bassa | M+H | 208.13 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C1%3DCC%3DCC%3DC1OC(%3DO)NC&inchi=InChI%3D1S%2FC12H17NO2%2Fc1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3%2Fh5-9H%2C4H2%2C1-3H3%2C(H%2C13%2C14)&width=350&height=250) |
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17 | CCMSLIB00001058243 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Diuron_C9H10Cl2N2O_3-(3,4-Dichlorophenyl)-1,1-dimethylurea | M+H | 233.02 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DO)NC1%3DCC(%3DC(C%3DC1)Cl)Cl&inchi=InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13(2)9(14)12-6-3-4-7(10)8(11)5-6%2Fh3-5H%2C1-2H3%2C(H%2C12%2C14)&width=350&height=250) |
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18 | CCMSLIB00001058249 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Diethofencarb_C14H21NO4_Powmil | M+H | 268.15 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | NC(%3DO)OC(C)C)OCC&inchi=InChI%3D1S%2FC14H21NO4%2Fc1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4%2Fh7-10H%2C5-6H2%2C1-4H3%2C(H%2C15%2C16)&width=350&height=250) |
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19 | CCMSLIB00001058252 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Cycluron_C11H22N2O_3-Cyclooctyl-1,1-dimethylurea | M+H | 199.18 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DO)NC1CCCCCCC1&inchi=InChI%3D1S%2FC11H22N2O%2Fc1-13(2)11(14)12-10-8-6-4-3-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3%2C(H%2C12%2C14)&width=350&height=250) |
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20 | CCMSLIB00001058258 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Linuron_C9H10Cl2N2O2_Urea, N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl- | M+H | 249.02 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | NC1%3DCC(%3DC(C%3DC1)Cl)Cl)OC&inchi=InChI%3D1S%2FC9H10Cl2N2O2%2Fc1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6%2Fh3-5H%2C1-2H3%2C(H%2C12%2C14)&width=350&height=250) |
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21 | CCMSLIB00001058261 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Iprovalicarb Isomer 1*_C18H28N2O3_Isopropyl [(2S)-3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxo-2-butanyl]carbamate | M+H | 321.22 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(C)NC(%3DO)C(C(C)C)NC(%3DO)OC(C)C&inchi=InChI%3D1S%2FC18H28N2O3%2Fc1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15%2Fh7-12%2C14%2C16H%2C1-6H3%2C(H%2C19%2C21)(H%2C20%2C22)%2Ft14%3F%2C16-%2Fm0%2Fs1&width=350&height=250) |
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22 | CCMSLIB00001058263 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Iprovalicarb Isomer 1*_C18H28N2O3_Isopropyl [(2S)-3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxo-2-butanyl]carbamate | M+Na | 343.20 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(C)NC(%3DO)C(C(C)C)NC(%3DO)OC(C)C&inchi=InChI%3D1S%2FC18H28N2O3%2Fc1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15%2Fh7-12%2C14%2C16H%2C1-6H3%2C(H%2C19%2C21)(H%2C20%2C22)%2Ft14%3F%2C16-%2Fm0%2Fs1&width=350&height=250) |
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23 | CCMSLIB00001058266 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Bifenazate_C17H20N2O3_1-Methylethyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate | M+H | 301.15 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | OC(%3DO)NNC1%3DC(C%3DCC(%3DC1)C2%3DCC%3DCC%3DC2)OC&inchi=InChI%3D1S%2FC17H20N2O3%2Fc1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13%2Fh4-12%2C18H%2C1-3H3%2C(H%2C19%2C20)&width=350&height=250) |
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24 | CCMSLIB00001058270 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Bifenazate_C17H20N2O3_1-Methylethyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate | M+Na | 323.14 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | OC(%3DO)NNC1%3DC(C%3DCC(%3DC1)C2%3DCC%3DCC%3DC2)OC&inchi=InChI%3D1S%2FC17H20N2O3%2Fc1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13%2Fh4-12%2C18H%2C1-3H3%2C(H%2C19%2C20)&width=350&height=250) |
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25 | CCMSLIB00001058273 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Chloroxuron_C15H15ClN2O2_Urea, N'-[4-(4-chlorophenoxy)phenyl]-N,N-dimethyl- | M+H | 291.09 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DO)NC1%3DCC%3DC(C%3DC1)OC2%3DCC%3DC(C%3DC2)Cl&inchi=InChI%3D1S%2FC15H15ClN2O2%2Fc1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13%2Fh3-10H%2C1-2H3%2C(H%2C17%2C19)&width=350&height=250) |
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26 | CCMSLIB00001058275 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Fenoxycarb_C17H19NO4_[2-(4-Phenoxyphenoxy)ethyl]carbamic acid ethyl ester | M+H | 302.14 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | NCCOC1%3DCC%3DC(C%3DC1)OC2%3DCC%3DCC%3DC2&inchi=InChI%3D1S%2FC17H19NO4%2Fc1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15%2Fh3-11H%2C2%2C12-13H2%2C1H3%2C(H%2C18%2C19)&width=350&height=250) |
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27 | CCMSLIB00001058279 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Neburon_C12H16Cl2N2O_Urea, N-butyl-N'-(3,4-dichlorophenyl)-N-methyl- | M+H | 275.07 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | C(%3DO)NC1%3DCC(%3DC(C%3DC1)Cl)Cl&inchi=InChI%3D1S%2FC12H16Cl2N2O%2Fc1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9%2Fh5-6%2C8H%2C3-4%2C7H2%2C1-2H3%2C(H%2C15%2C17)&width=350&height=250) |
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28 | CCMSLIB00001058281 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Pyraclostrobin_C19H18ClN3O4_Methyl [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamate | M+H | 388.11 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | N(C1%3DCC%3DCC%3DC1COC2%3DNN(C%3DC2)C3%3DCC%3DC(C%3DC3)Cl)OC&inchi=InChI%3D1S%2FC19H18ClN3O4%2Fc1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16%2Fh3-12H%2C13H2%2C1-2H3&width=350&height=250) |
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29 | CCMSLIB00001058284 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide10_Carbendazim_C9H9N3O2_mecarzole | M+H | 192.08 | Q-Exactive Plus Orbitrap Res 70k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:14:30.0 | NC1%3DNC2%3DCC%3DCC%3DC2N1&inchi=InChI%3D1S%2FC9H9N3O2%2Fc1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8%2Fh2-5H%2C1H3%2C(H2%2C10%2C11%2C12%2C13)&width=350&height=250) |
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30 | CCMSLIB00001058286 | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | Pesticide3_Pyraclostrobin_C19H18ClN3O4_Methyl [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamate | M+Na | 410.09 | Q-Exactive Plus Orbitrap Res 14k | Dorrestein/Touboul | 1 | mwang87 | 2017-03-21 12:10:26.0 | N(C1%3DCC%3DCC%3DC1COC2%3DNN(C%3DC2)C3%3DCC%3DC(C%3DC3)Cl)OC&inchi=InChI%3D1S%2FC19H18ClN3O4%2Fc1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16%2Fh3-12H%2C13H2%2C1-2H3&width=350&height=250) |
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