1 | CCMSLIB00000078899 | GNPS-NIH-CLINICALCOLLECTION1 | BUPROPION HYDROCHLORIDE | [M+H] | 240.12 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | (C)C)C(%3DO)c1cccc(Cl)c1&inchi=N%2FA&width=350&height=250) |
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2 | CCMSLIB00000078900 | GNPS-NIH-CLINICALCOLLECTION1 | PAZUFLOXACIN | [M+H] | 319.11 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | cc3c(%3DO)c(cn1c23)C(%3DO)O)C4(N)CC4&inchi=N%2FA&width=350&height=250) |
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3 | CCMSLIB00000078901 | GNPS-NIH-CLINICALCOLLECTION1 | Topotecan Hydrochloride | [M+H] | 422.17 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | C(%3DO)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2%3DO&inchi=N%2FA&width=350&height=250) |
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4 | CCMSLIB00000078902 | GNPS-NIH-CLINICALCOLLECTION1 | NAFTOPIDIL | [M+H] | 393.22 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | COc3cccc4ccccc34)CC2&inchi=N%2FA&width=350&height=250) |
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5 | CCMSLIB00000078903 | GNPS-NIH-CLINICALCOLLECTION1 | NAFTOPIDIL | [M+2H] | 197.11 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | COc3cccc4ccccc34)CC2&inchi=N%2FA&width=350&height=250) |
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6 | CCMSLIB00000078904 | GNPS-NIH-CLINICALCOLLECTION1 | ROSIGLITAZONE MALEATE | [M+H] | 358.12 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | NC2%3DO)cc1)c3ccccn3&inchi=N%2FA&width=350&height=250) |
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7 | CCMSLIB00000078905 | GNPS-NIH-CLINICALCOLLECTION1 | BICALUTAMIDE | [M+H] | 431.07 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | (CS(%3DO)(%3DO)c1ccc(F)cc1)C(%3DO)Nc2ccc(C%23N)c(c2)C(F)(F)F&inchi=N%2FA&width=350&height=250) |
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8 | CCMSLIB00000078906 | GNPS-NIH-CLINICALCOLLECTION1 | Isoquercitrin | [M+H] | 465.10 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | cc(O)c3c2%3DO)c4ccc(O)c(O)c4)%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40%40H%5D1O&inchi=N%2FA&width=350&height=250) |
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9 | CCMSLIB00000078907 | GNPS-NIH-CLINICALCOLLECTION1 | DOXORUBICIN HYDROCHLORIDE | [M+H] | 544.18 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c3c(O)c4C%5BC%40%5D(O)(C%5BC%40H%5D(O%5BC%40H%5D5C%5BC%40H%5D(N)%5BC%40H%5D(O)%5BC%40H%5D(C)O5)c4c(O)c3C(%3DO)c12)C(%3DO)CO&inchi=N%2FA&width=350&height=250) |
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10 | CCMSLIB00000078908 | GNPS-NIH-CLINICALCOLLECTION1 | Midazolam Hydrochloride | [M+H] | 326.08 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c4cc(Cl)ccc4-n12&inchi=N%2FA&width=350&height=250) |
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11 | CCMSLIB00000078909 | GNPS-NIH-CLINICALCOLLECTION1 | Midazolam Hydrochloride | [M+2H] | 163.55 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c4cc(Cl)ccc4-n12&inchi=N%2FA&width=350&height=250) |
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12 | CCMSLIB00000078910 | GNPS-NIH-CLINICALCOLLECTION1 | IRSOGLADINE MALEATE | [M+H] | 256.01 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | nc(n1)c2cc(Cl)ccc2Cl&inchi=N%2FA&width=350&height=250) |
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13 | CCMSLIB00000078911 | GNPS-NIH-CLINICALCOLLECTION1 | Nobiletin | [M+H] | 403.14 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c2cc(%3DO)c3c(OC)c(OC)c(OC)c(OC)c3o2&inchi=N%2FA&width=350&height=250) |
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14 | CCMSLIB00000078912 | GNPS-NIH-CLINICALCOLLECTION1 | Nobiletin | [M+Na] | 425.12 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c2cc(%3DO)c3c(OC)c(OC)c(OC)c(OC)c3o2&inchi=N%2FA&width=350&height=250) |
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15 | CCMSLIB00000078913 | GNPS-NIH-CLINICALCOLLECTION1 | ESCITALOPRAM OXALATE | [M+H] | 325.17 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | CCC%5BC%40%5D1(OCc2cc(C%23N)ccc21)c3ccc(F)cc3&inchi=N%2FA&width=350&height=250) |
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16 | CCMSLIB00000078914 | GNPS-NIH-CLINICALCOLLECTION1 | BENIDIPINE HCl | [M+H] | 506.23 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | N%3DC1C)C(%3DO)O%5BC%40%40H%5D2CCCN(Cc3ccccc3)C2)c4cccc(c4)%5BN%2B%5D(%3DO)%5BO-%5D)%2FO&inchi=N%2FA&width=350&height=250) |
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17 | CCMSLIB00000078915 | GNPS-NIH-CLINICALCOLLECTION1 | "ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate" | [M+H] | 304.11 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c1ncn-2c1CN(C)C(%3DO)c3cc(F)ccc32&inchi=N%2FA&width=350&height=250) |
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18 | CCMSLIB00000078916 | GNPS-NIH-CLINICALCOLLECTION1 | FINASTERIDE | [M+H] | 373.29 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | (C)NC(%3DO)%5BC%40H%5D1CC%5BC%40H%5D2%5BC%40%40H%5D3CC%5BC%40H%5D4NC(%3DO)C%3DC%5BC%40%5D4(C)%5BC%40H%5D3CC%5BC%40%5D12C&inchi=N%2FA&width=350&height=250) |
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19 | CCMSLIB00000078917 | GNPS-NIH-CLINICALCOLLECTION1 | "(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" | [M+H] | 323.19 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | CCCCCc2cc(O)cc(O)c2C(%3DO)O1&inchi=N%2FA&width=350&height=250) |
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20 | CCMSLIB00000078918 | GNPS-NIH-CLINICALCOLLECTION1 | AMLEXANOX | [M+H] | 299.10 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c1ccc2oc3nc(N)c(cc3c(%3DO)c2c1)C(%3DO)O&inchi=N%2FA&width=350&height=250) |
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21 | CCMSLIB00000078919 | GNPS-NIH-CLINICALCOLLECTION1 | BENAZEPRIL HYDROCHLORIDE | [M+H] | 425.21 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | %5BC%40H%5D(CCc1ccccc1)N%5BC%40H%5D2CCc3ccccc3N(CC(%3DO)O)C2%3DO&inchi=N%2FA&width=350&height=250) |
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22 | CCMSLIB00000078920 | GNPS-NIH-CLINICALCOLLECTION1 | (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid | [M+H] | 229.10 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | %2FC%3DC%2Fc1ccc(Cn2ccnc2)cc1&inchi=N%2FA&width=350&height=250) |
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23 | CCMSLIB00000078921 | GNPS-NIH-CLINICALCOLLECTION1 | "7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one" | [M+H] | 282.09 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c1ccc2NC(%3DO)CN%3DC(c3ccccc3)c2c1&inchi=N%2FA&width=350&height=250) |
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24 | CCMSLIB00000078922 | GNPS-NIH-CLINICALCOLLECTION1 | 366-70-1 | [M+H] | 222.16 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | C(%3DO)NC(C)C&inchi=N%2FA&width=350&height=250) |
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25 | CCMSLIB00000078923 | GNPS-NIH-CLINICALCOLLECTION1 | BENPROPERINE PHOSPHATE | [M+H] | 310.22 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | N3CCCCC3&inchi=N%2FA&width=350&height=250) |
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26 | CCMSLIB00000078924 | GNPS-NIH-CLINICALCOLLECTION1 | OLANZAPINE | [M+2H] | 157.08 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | C2%3DNc3ccccc3Nc4sc(C)cc24&inchi=N%2FA&width=350&height=250) |
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27 | CCMSLIB00000078925 | GNPS-NIH-CLINICALCOLLECTION1 | OLANZAPINE | [M+H] | 313.15 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | C2%3DNc3ccccc3Nc4sc(C)cc24&inchi=N%2FA&width=350&height=250) |
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28 | CCMSLIB00000078926 | GNPS-NIH-CLINICALCOLLECTION1 | RISPERIDONE | [M+H] | 411.22 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c1CCN3CCC(CC3)c4noc5cc(F)ccc45&inchi=N%2FA&width=350&height=250) |
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29 | CCMSLIB00000078927 | GNPS-NIH-CLINICALCOLLECTION1 | RISPERIDONE | [M+2H] | 206.11 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | c1CCN3CCC(CC3)c4noc5cc(F)ccc45&inchi=N%2FA&width=350&height=250) |
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30 | CCMSLIB00000078928 | GNPS-NIH-CLINICALCOLLECTION1 | ZOLPIDEM TARTRATE | [M+H] | 308.18 | qTof | Dorrestein | 1 | negarg | 2014-05-06 20:38:41.0 | C(%3DO)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3&inchi=N%2FA&width=350&height=250) |
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