1 | CCMSLIB00000076959 | GNPS-NIH-CLINICALCOLLECTION2 | Phenergan | [M+H] | 285.14 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | N(C)C&width=350&height=250) |
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2 | CCMSLIB00000076960 | GNPS-NIH-CLINICALCOLLECTION2 | 56131-49-8 | [M+H] | 315.15 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | %5BO-%5D)%2FNCCSCc1ccc(CN(C)C)o1&width=350&height=250) |
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3 | CCMSLIB00000076961 | GNPS-NIH-CLINICALCOLLECTION2 | "3,5,3'-TRIIODOTHYRONINE" | [M+H] | 651.80 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | c(Oc2ccc(O)c(I)c2)c(I)c1)C(%3DO)O&width=350&height=250) |
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4 | CCMSLIB00000076962 | GNPS-NIH-CLINICALCOLLECTION2 | 94-20-2 | [M+Na] | 299.02 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | NS(%3DO)(%3DO)c1ccc(Cl)cc1&width=350&height=250) |
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5 | CCMSLIB00000076963 | GNPS-NIH-CLINICALCOLLECTION2 | 94-20-2 | [M+H] | 277.04 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | NS(%3DO)(%3DO)c1ccc(Cl)cc1&width=350&height=250) |
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6 | CCMSLIB00000076964 | GNPS-NIH-CLINICALCOLLECTION2 | Vistaril Pamoate | [M+H] | 375.19 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | C(c2ccccc2)c3ccc(Cl)cc3&width=350&height=250) |
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7 | CCMSLIB00000076965 | GNPS-NIH-CLINICALCOLLECTION2 | 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide | [M+H] | 300.15 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | CCNC(%3DO)c1cc(Cl)c(N)cc1OC&width=350&height=250) |
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8 | CCMSLIB00000076966 | GNPS-NIH-CLINICALCOLLECTION2 | "2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol" | [M+2H] | 253.17 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO&width=350&height=250) |
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9 | CCMSLIB00000076967 | GNPS-NIH-CLINICALCOLLECTION2 | "2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol" | [M+H] | 505.33 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO&width=350&height=250) |
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10 | CCMSLIB00000076968 | GNPS-NIH-CLINICALCOLLECTION2 | HYDROCORTISONE | [M+H] | 363.22 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | %5BC%40H%5D3%5BC%40%40H%5D(CC%2FC%2F4%3DC%2FC(%3DO)CC%5BC%40%5D34C)%5BC%40%40H%5D2CC%5BC%40%5D1(O)C(%3DO)CO&width=350&height=250) |
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11 | CCMSLIB00000076969 | GNPS-NIH-CLINICALCOLLECTION2 | "(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol" | [M+H] | 310.20 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | (C)NCC(O)COc1cccc2C%5BC%40%40H%5D(O)%5BC%40%40H%5D(O)Cc12&width=350&height=250) |
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12 | CCMSLIB00000076970 | GNPS-NIH-CLINICALCOLLECTION2 | Perphenazine aka 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol | M+H | 404.16 | qTof | Dorrestein | 1 | negarg | 2015-04-10 15:56:56.0 | Cl)CCO&inchi=%20&width=350&height=250) |
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13 | CCMSLIB00000076971 | GNPS-NIH-CLINICALCOLLECTION2 | RIFAMPICIN | [M+H] | 823.42 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | Oc3c(C)c(O)c4c(O)c(NC(%3DO)%5CC(%3DC%2FC%3DC%2F%5BC%40H%5D(C)%5BC%40H%5D(O)%5BC%40%40H%5D(C)%5BC%40%40H%5D(O)%5BC%40%40H%5D(C)%5BC%40H%5D(OC(%3DO)C)%5BC%40%40H%5D1C)%5CC)c(C%3DNN5CCN(C)CC5)c(O)c4c3C2%3DO&width=350&height=250) |
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14 | CCMSLIB00000076972 | GNPS-NIH-CLINICALCOLLECTION2 | 80-08-0 | [M+H] | 249.07 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | S(%3DO)(%3DO)c2ccc(N)cc2&width=350&height=250) |
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15 | CCMSLIB00000076973 | GNPS-NIH-CLINICALCOLLECTION2 | "1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide" | [M+H] | 332.00 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | (%3DO)c1cc2c(NCNS2(%3DO)%3DO)cc1C(F)(F)F&width=350&height=250) |
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16 | CCMSLIB00000076974 | GNPS-NIH-CLINICALCOLLECTION2 | Bentyl | [M+H] | 310.27 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | CCOC(%3DO)C1(CCCCC1)C2CCCCC2&width=350&height=250) |
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17 | CCMSLIB00000076975 | GNPS-NIH-CLINICALCOLLECTION2 | Cortell | [M+H] | 405.23 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | OCC(%3DO)%5BC%40%40%5D1(O)CC%5BC%40H%5D2%5BC%40%40H%5D3CC%2FC%2F4%3DC%2FC(%3DO)CC%5BC%40%5D4(C)%5BC%40H%5D3%5BC%40%40H%5D(O)C%5BC%40%40%5D21C&width=350&height=250) |
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18 | CCMSLIB00000076976 | GNPS-NIH-CLINICALCOLLECTION2 | Disipal | [M+H] | 270.19 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | CCOC(c1ccccc1)c2ccccc2C&width=350&height=250) |
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19 | CCMSLIB00000076977 | GNPS-NIH-CLINICALCOLLECTION2 | Prednisolone | [M+H] | 361.20 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | %5BC%40H%5D3%5BC%40%40H%5D(CCC4%3DCC(%3DO)C%3DC%5BC%40%5D34C)%5BC%40%40H%5D2CC%5BC%40%5D1(O)C(%3DO)CO&width=350&height=250) |
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20 | CCMSLIB00000076978 | GNPS-NIH-CLINICALCOLLECTION2 | Prednisolone | [M+2H] | 181.10 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | %5BC%40H%5D3%5BC%40%40H%5D(CCC4%3DCC(%3DO)C%3DC%5BC%40%5D34C)%5BC%40%40H%5D2CC%5BC%40%5D1(O)C(%3DO)CO&width=350&height=250) |
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21 | CCMSLIB00000076979 | GNPS-NIH-CLINICALCOLLECTION2 | Symmetrel | [M+H] | 152.14 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | C1)C3&width=350&height=250) |
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22 | CCMSLIB00000076980 | GNPS-NIH-CLINICALCOLLECTION2 | Chloroxine | [M+H] | 213.98 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | cc(Cl)c2cccnc12&width=350&height=250) |
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23 | CCMSLIB00000076981 | GNPS-NIH-CLINICALCOLLECTION2 | "2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid" | [M+H] | 303.02 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | C(%3DO)c1ccc(OCC(%3DO)O)c(Cl)c1Cl&width=350&height=250) |
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24 | CCMSLIB00000076982 | GNPS-NIH-CLINICALCOLLECTION2 | 15687-27-1 | [M+H] | 207.14 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | Cc1ccc(cc1)C(C)C(%3DO)O&width=350&height=250) |
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25 | CCMSLIB00000076983 | GNPS-NIH-CLINICALCOLLECTION2 | Ofloxacin | [M+H] | 362.15 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | CC3)c(F)cc4c(%3DO)c(cn1c24)C(%3DO)O&width=350&height=250) |
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26 | CCMSLIB00000076984 | GNPS-NIH-CLINICALCOLLECTION2 | Ofloxacin | [M+2H] | 181.58 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | CC3)c(F)cc4c(%3DO)c(cn1c24)C(%3DO)O&width=350&height=250) |
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27 | CCMSLIB00000076985 | GNPS-NIH-CLINICALCOLLECTION2 | N-(2-methylphenyl)-2-(propylamino)propanamide | [M+H] | 221.17 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | C(%3DO)Nc1ccccc1C&width=350&height=250) |
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28 | CCMSLIB00000076986 | GNPS-NIH-CLINICALCOLLECTION2 | N-(2-methylphenyl)-2-(propylamino)propanamide | [M+H] | 221.17 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | C(%3DO)Nc1ccccc1C&width=350&height=250) |
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29 | CCMSLIB00000076987 | GNPS-NIH-CLINICALCOLLECTION2 | Busulfan | [M+Na] | 269.01 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | (%3DO)OCCCCOS(%3DO)(%3DO)C&width=350&height=250) |
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30 | CCMSLIB00000076988 | GNPS-NIH-CLINICALCOLLECTION2 | Duvadilan | [M+H] | 302.18 | qTof | Dorrestein | 1 | negarg | 2014-04-21 17:25:35.0 | NC(C)C(O)c2ccc(O)cc2&width=350&height=250) |
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