1 | CCMSLIB00000084736 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 313.22 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | CC%5BC%40H%5D34)%5BC%40%40H%5D2CC%5BC%40%40%5D1(O)C%23C&inchi=N%2FA&width=350&height=250) |
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2 | CCMSLIB00000084737 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001076332-01 | 16502-01-5 |
| M+H | 173.11 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | %5BnH%5Dc3ccccc23&inchi=N%2FA&width=350&height=250) |
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3 | CCMSLIB00000084738 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | "MLS001076466-01 | 7-(2,3-DIHYDROXYPROPYL)THEOPHYLLINE479-18-5" |
| M+H | 255.11 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | n(C)c2ncn(CC(O)CO)c2c1%3DO&inchi=N%2FA&width=350&height=250) |
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4 | CCMSLIB00000084739 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 245.20 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | c1CC2%3DNCCN2)C(C)(C)C.Cl&inchi=N%2FA&width=350&height=250) |
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5 | CCMSLIB00000084740 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | "MLS001076525-01 | 8-CYCLOPENTYL-1,3-DIPROPYLXANTHINE" |
| M+H | 305.20 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | n(CCC)c2%5BnH%5Dc(nc2c1%3DO)C3CCCC3&inchi=N%2FA&width=350&height=250) |
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6 | CCMSLIB00000084741 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001077317-01 | 17BETA-ESTRADIOL 17-HEMISUCCINATE |
| M+H | 373.20 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | ccc34)%5BC%40%40H%5D2CC%5BC%40%40H%5D1OC(%3DO)CCC(%3DO)O&inchi=N%2FA&width=350&height=250) |
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7 | CCMSLIB00000084742 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 241.10 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | c1cc2c(c%5BnH%5D1)nc3ccccc32&inchi=N%2FA&width=350&height=250) |
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8 | CCMSLIB00000084743 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 408.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C(F)(F)F)CC1.Cl&inchi=N%2FA&width=350&height=250) |
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9 | CCMSLIB00000084744 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001146874-01 | ADRENOSTERONE |
| M+H | 301.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | %5BC%40H%5D3%5BC%40%40H%5D(CCC4%3DCC(%3DO)CC%5BC%40%5D34C)%5BC%40%40H%5D2CCC1%3DO&inchi=N%2FA&width=350&height=250) |
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10 | CCMSLIB00000084745 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001148141-01 | N-ACETYLPROCAINAMIDE HYDROCHLORIDE |
| M+H | 278.19 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | CCNC(%3DO)c1ccc(NC(%3DO)C)cc1.Cl&inchi=N%2FA&width=350&height=250) |
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11 | CCMSLIB00000084746 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 249.07 | qTof | Dorrestein | 3 | vphelan | 2014-05-31 16:00:37.0 | S(%3DO)(%3DO)c2ccc(N)cc2&inchi=N%2FA&width=350&height=250) |
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12 | CCMSLIB00000084747 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | "MLS001074357-01 | 9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride hydrate" |
| M+H | 294.16 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | c4ccccc4n3C.O.Cl&inchi=N%2FA&width=350&height=250) |
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13 | CCMSLIB00000084748 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 285.08 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | c2coc3cc(O)cc(O)c3c2%3DO&inchi=N%2FA&width=350&height=250) |
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14 | CCMSLIB00000084749 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 319.11 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | CCCN1c2ccccc2Sc3ccc(Cl)cc13.Cl&inchi=N%2FA&width=350&height=250) |
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15 | CCMSLIB00000084750 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001333197-01 | RANITIDINE HYDROCHLORIDE |
| M+H | 315.15 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | %5BO-%5D)%2FNCCSCc1ccc(CN(C)C)o1.Cl&inchi=N%2FA&width=350&height=250) |
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16 | CCMSLIB00000084751 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 180.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C1)C%5BC%40%5D(N)(C2)C3.Cl&inchi=N%2FA&width=350&height=250) |
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17 | CCMSLIB00000084752 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS002153353-01 | 3-Tropanylindole-3-carboxylate methiodide |
| M+H | 299.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C2CCC1CC(C2)OC(%3DO)c3c%5BnH%5Dc4ccccc34.%5BI-%5D&inchi=N%2FA&width=350&height=250) |
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18 | CCMSLIB00000084753 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS002222254-01 | 34580-14-8 |
| M+H | 310.13 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | Cc4ccccc24)CC1.%5BO-%5DC(%3DO)%2FC%3DC%5CC(%3DO)%5BO-%5D&inchi=N%2FA&width=350&height=250) |
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19 | CCMSLIB00000084754 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 407.22 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C1)C(%3DO)N%5BC%40H%5D(%5BC%40%40H%5D(C)O)%5BC%40H%5D2O%5BC%40H%5D(SC)%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40%40H%5D2O.Cl&inchi=N%2FA&width=350&height=250) |
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20 | CCMSLIB00000084755 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 327.14 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C2%3DNc3cc(Cl)ccc3Nc4ccccc24&inchi=N%2FA&width=350&height=250) |
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21 | CCMSLIB00000084756 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001148081-01 | IDAZOXAN HYDROCHLORIDE |
| M+H | 205.10 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C2COc3ccccc3O2.Cl&inchi=N%2FA&width=350&height=250) |
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22 | CCMSLIB00000084757 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 233.09 | qTof | Dorrestein | 3 | vphelan | 2014-05-31 16:00:37.0 | O)c(%3DO)c2ccc(C)nc12&inchi=N%2FA&width=350&height=250) |
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23 | CCMSLIB00000084758 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001148663-01 | MORANTEL TARTRATE SALT |
| M+H | 221.11 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C(%3DO)O)C(%3DO)O&inchi=N%2FA&width=350&height=250) |
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24 | CCMSLIB00000084759 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001401442-01 | d-3-Methoxy-N-methylmorphinan hydrobromide |
| M+H | 272.20 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | c2c1.O.Br&inchi=N%2FA&width=350&height=250) |
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25 | CCMSLIB00000084760 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS002153906-01 | Eburnamonine (-)4880-88-0 |
| M+H | 295.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | CC(%3DO)n4c5ccccc35&inchi=N%2FA&width=350&height=250) |
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26 | CCMSLIB00000084761 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS000069640-01 | SULFAMETER |
| M+H | 281.07 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | (%3DO)c2ccc(N)cc2)nc1&inchi=N%2FA&width=350&height=250) |
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27 | CCMSLIB00000084762 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 304.18 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | N(C)C(%3DN)Nc2cccc3ccccc23.Cl&inchi=N%2FA&width=350&height=250) |
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28 | CCMSLIB00000084763 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | | M+H | 311.08 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | (%3DO)c2ccc(N)cc2)nc(OC)n1&inchi=N%2FA&width=350&height=250) |
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29 | CCMSLIB00000084764 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001401434-01 | VINCRISTINE SULFATE |
| M+2H | 413.21 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C%5BC%40%40H%5D2CN(C1)CCc3c(%5BnH%5Dc4ccccc34)%5BC%40%40%5D(C2)(C(%3DO)OC)c5cc6c(cc5OC)N(C%3DO)%5BC%40%40H%5D7%5BC%40%40%5D86CCN9CC%3DC%5BC%40%5D(CC)(%5BC%40H%5D98)%5BC%40%40H%5D(OC(%3DO)C)%5BC%40%5D7(O)C(%3DO)OC.OS(%3DO)(%3DO)O&inchi=N%2FA&width=350&height=250) |
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30 | CCMSLIB00000084765 | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | MLS001401434-01 | VINCRISTINE SULFATE |
| M+H | 825.41 | qTof | Dorrestein | 1 | vphelan | 2014-05-31 16:00:37.0 | C%5BC%40%40H%5D2CN(C1)CCc3c(%5BnH%5Dc4ccccc34)%5BC%40%40%5D(C2)(C(%3DO)OC)c5cc6c(cc5OC)N(C%3DO)%5BC%40%40H%5D7%5BC%40%40%5D86CCN9CC%3DC%5BC%40%5D(CC)(%5BC%40H%5D98)%5BC%40%40H%5D(OC(%3DO)C)%5BC%40%5D7(O)C(%3DO)OC.OS(%3DO)(%3DO)O&inchi=N%2FA&width=350&height=250) |
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