1 | CCMSLIB00000077994 | GNPS-SELLECKCHEM-FDA-PART2 | Axitinib | [M+H] | 387.13 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC)SC2%3DCC3%3DC(C%3DC2)C(%3DNN3)%2FC%3DC%2FC4%3DCC%3DCC%3DN4&inchi=N%2FA&width=350&height=250) |
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2 | CCMSLIB00000077995 | GNPS-SELLECKCHEM-FDA-PART2 | Bortezomib (Velcade) | [M+Na] | 407.19 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | C(N%5BC%40H%5D(C(N%5BC%40H%5D(B(O)O)CC(C)C)%3DO)CC2%3DCC%3DCC%3DC2)%3DO&inchi=N%2FA&width=350&height=250) |
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3 | CCMSLIB00000077996 | GNPS-SELLECKCHEM-FDA-PART2 | Bortezomib (Velcade) | [M-H2O] | 367.19 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | C(N%5BC%40H%5D(C(N%5BC%40H%5D(B(O)O)CC(C)C)%3DO)CC2%3DCC%3DCC%3DC2)%3DO&inchi=N%2FA&width=350&height=250) |
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4 | CCMSLIB00000077997 | GNPS-SELLECKCHEM-FDA-PART2 | Bosutinib (SKI-606) | [M+2H] | 265.59 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | OCCCN3CCN(CC3)C)OC)NC4C(%3DCC(%3DC(C%3D4)OC)Cl)Cl)C%23N&inchi=N%2FA&width=350&height=250) |
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5 | CCMSLIB00000077998 | GNPS-SELLECKCHEM-FDA-PART2 | Bosutinib (SKI-606) | [M+H] | 530.17 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | OCCCN3CCN(CC3)C)OC)NC4C(%3DCC(%3DC(C%3D4)OC)Cl)Cl)C%23N&inchi=N%2FA&width=350&height=250) |
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6 | CCMSLIB00000077999 | GNPS-SELLECKCHEM-FDA-PART2 | Dasatinib (BMS-354825) | [M+2H] | 244.59 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | C(NC3%3DC(C%3DCC%3DC3C)Cl)%3DO)N4CCN(CC4)CCO)C&inchi=N%2FA&width=350&height=250) |
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7 | CCMSLIB00000078000 | GNPS-SELLECKCHEM-FDA-PART2 | Dasatinib (BMS-354825) | [M+H] | 488.16 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | C(NC3%3DC(C%3DCC%3DC3C)Cl)%3DO)N4CCN(CC4)CCO)C&inchi=N%2FA&width=350&height=250) |
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8 | CCMSLIB00000078001 | GNPS-SELLECKCHEM-FDA-PART2 | Erlotinib HCl | [M+H] | 394.18 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | C%23C)NC2(%3DNC%3DNC3%3DC2C%3DC(C(%3DC3)OCCOC)OCCOC).Cl&inchi=N%2FA&width=350&height=250) |
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9 | CCMSLIB00000078002 | GNPS-SELLECKCHEM-FDA-PART2 | Gefitinib (Iressa) | [M+2H] | 224.08 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | N%3DCN%3DC2NC3%3DCC%3DC(C(%3DC3)Cl)F)OCCCN4CCOCC4)OC&inchi=N%2FA&width=350&height=250) |
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10 | CCMSLIB00000078003 | GNPS-SELLECKCHEM-FDA-PART2 | Gefitinib (Iressa) | [M+H] | 447.16 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | N%3DCN%3DC2NC3%3DCC%3DC(C(%3DC3)Cl)F)OCCCN4CCOCC4)OC&inchi=N%2FA&width=350&height=250) |
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11 | CCMSLIB00000078004 | GNPS-SELLECKCHEM-FDA-PART2 | Imatinib Mesylate | [M+2H] | 247.64 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC2%3DNC%3DCC(%3DN2)C3%3DCC%3DCN%3DC3)C)NC(%3DO)C4(%3DCC%3DC(C%3DC4)CN5CCN(CC5)C).OS(C)(%3DO)%3DO&inchi=N%2FA&width=350&height=250) |
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12 | CCMSLIB00000078005 | GNPS-SELLECKCHEM-FDA-PART2 | Imatinib Mesylate | [M+H] | 494.27 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC2%3DNC%3DCC(%3DN2)C3%3DCC%3DCN%3DC3)C)NC(%3DO)C4(%3DCC%3DC(C%3DC4)CN5CCN(CC5)C).OS(C)(%3DO)%3DO&inchi=N%2FA&width=350&height=250) |
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13 | CCMSLIB00000078006 | GNPS-SELLECKCHEM-FDA-PART2 | Lenalidomide | [M+H] | 260.10 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | C(N(C2)C3C(NC(CC3)%3DO)%3DO)%3DO)N&inchi=N%2FA&width=350&height=250) |
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14 | CCMSLIB00000078007 | GNPS-SELLECKCHEM-FDA-PART2 | Nilotinib (AMN-107) | [M+H] | 530.19 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC2%3DNC%3DCC(%3DN2)C3%3DCN%3DCC%3DC3)C)C(%3DO)NC4%3DCC(%3DCC(%3DC4)N5C%3DC(N%3DC5)C)C(F)(F)F&inchi=N%2FA&width=350&height=250) |
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15 | CCMSLIB00000078008 | GNPS-SELLECKCHEM-FDA-PART2 | Rapamycin (Sirolimus) | [M+Na] | 936.54 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | C%5BC%40H%5D(%5BC%40%40H%5D2CC(%5BC%40%40H%5D(%2FC%3DC(%5CC)%5BC%40H%5D(%5BC%40%40H%5D(C(%5BC%40%40H%5D(C%5BC%40%40H%5D(%2FC%3DC%2FC%3DC%2FC%3DC(%2F%5BC%40H%5D(C%5BC%40%40H%5D3CC%5BC%40H%5D(%5BC%40%5D(C(C(N4CCCC%5BC%40%40H%5D(C(O2)%3DO)4)%3DO)%3DO)(O3)O)C)OC)C)C)C)%3DO)OC)O)C)%3DO)C)OC)O&inchi=N%2FA&width=350&height=250) |
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16 | CCMSLIB00000078009 | GNPS-SELLECKCHEM-FDA-PART2 | Sorafenib (Nexavar) | [M+H] | 465.09 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | (F)F)NC(NC2%3DCC%3DC(C%3DC2)OC3%3DCC%3DNC(%3DC3)C(NC)%3DO)%3DO)Cl.C4%3DCC(%3DCC%3DC4S(O)(%3DO)%3DO)C&inchi=N%2FA&width=350&height=250) |
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17 | CCMSLIB00000078010 | GNPS-SELLECKCHEM-FDA-PART2 | Sunitinib Malate (Sutent) | [M+H] | 399.22 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | %2FC(C(N2)%3DO)%3DC%2FC3NC(%3DC(C%3D3C)C(NCCN(CC)CC)%3DO)C)F.C(C%5BC%40%40H%5D(C(O)%3DO)O)(O)%3DO&inchi=N%2FA&width=350&height=250) |
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18 | CCMSLIB00000078011 | GNPS-SELLECKCHEM-FDA-PART2 | Temsirolimus (Torisel) | [M+Na] | 1052.59 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | (CO)C)%3DO)C%5BC%40H%5D(%5BC%40%40H%5D2CC(%5BC%40%40H%5D(%2FC%3DC(%2F%5BC%40H%5D(%5BC%40%40H%5D(OC)C(%5BC%40%40H%5D(C%5BC%40%40H%5D(%2FC%3DC%2FC%3DC%2FC%3DC(%2F%5BC%40H%5D(C%5BC%40%5D3(CC%5BC%40H%5D(%5BC%40%5D(C(C(N4%5BC%40%5D(C(O2)%3DO)(CCCC4)%5BH%5D)%3DO)%3DO)(O3)O)C)%5BH%5D)OC)C)C)C)%3DO)O)C)C)%3DO)C)OC&inchi=N%2FA&width=350&height=250) |
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19 | CCMSLIB00000078012 | GNPS-SELLECKCHEM-FDA-PART2 | Vandetanib (Zactima) | [M+2H] | 238.06 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC3%3DC(C%3DC(C%3DC3)Br)F)C%3DC(C(%3DC2)OCC4CCN(CC4)C)OC&inchi=N%2FA&width=350&height=250) |
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20 | CCMSLIB00000078013 | GNPS-SELLECKCHEM-FDA-PART2 | Masitinib (AB1010) | [M+2H] | 250.12 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC(%3DO)C2%3DCC%3DC(C%3DC2)CN3CCN(CC3)C)NC4%3DNC(%3DCS4)C5%3DCC%3DCN%3DC5)C&inchi=N%2FA&width=350&height=250) |
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21 | CCMSLIB00000078014 | GNPS-SELLECKCHEM-FDA-PART2 | Masitinib (AB1010) | [M+H] | 499.23 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC(%3DO)C2%3DCC%3DC(C%3DC2)CN3CCN(CC3)C)NC4%3DNC(%3DCS4)C5%3DCC%3DCN%3DC5)C&inchi=N%2FA&width=350&height=250) |
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22 | CCMSLIB00000078015 | GNPS-SELLECKCHEM-FDA-PART2 | Crizotinib (PF-02341066) | [M+H] | 450.13 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | N)O%5BC%40%40H%5D(C2%3DC(C%3DCC(%3DC2Cl)F)Cl)C)C3%3DCN(N%3DC3)C4CCNCC4&inchi=N%2FA&width=350&height=250) |
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23 | CCMSLIB00000078016 | GNPS-SELLECKCHEM-FDA-PART2 | Vismodegib (GDC-0449) | [M+H] | 421.02 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | NC(C2%3DCC%3DC(C%3DC2Cl)S(C)(%3DO)%3DO)%3DO)C3%3DNC%3DCC%3DC3)Cl&inchi=N%2FA&width=350&height=250) |
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24 | CCMSLIB00000078017 | GNPS-SELLECKCHEM-FDA-PART2 | XL-184 free base (Cabozantinib) | [M+H] | 502.18 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | OC3%3DCC%3DC(C%3DC3)NC(C4(C(NC5%3DCC%3DC(C%3DC5)F)%3DO)CC4)%3DO)C%3DC(C(%3DC2)OC)OC&inchi=N%2FA&width=350&height=250) |
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25 | CCMSLIB00000078018 | GNPS-SELLECKCHEM-FDA-PART2 | Everolimus (RAD001) | [M+Na] | 980.57 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | CO%5BC%40H%5D1%5BC%40%40H%5D(C%5BC%40%40H%5D(CC1)C%5BC%40%40H%5D(%5BC%40H%5D2OC(%3DO)%5BC%40%40H%5D3CCCCN3C(%3DO)C(%5BC%40%5D4(%5BC%40%40H%5D(CC%5BC%40H%5D(O4)C%5BC%40%40H%5D(%2FC(%3DC%2FC%3DC%2FC%3DC%2F%5BC%40H%5D(C%5BC%40H%5D(C(%5BC%40%40H%5D(%5BC%40%40H%5D(O)%2FC(%3DC%2F%5BC%40H%5D(C(C2)%3DO)C)C)OC)%3DO)C)C)C)OC)C)O)%3DO)C)OC&inchi=N%2FA&width=350&height=250) |
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26 | CCMSLIB00000078019 | GNPS-SELLECKCHEM-FDA-PART2 | Abiraterone (CB-7598) | [M+H] | 350.25 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | (%5BC%40%5D3(%5BC%40%40%5D(CC%3D2)(%5BC%40%5D4(%5BC%40%5D(CC3)(C(%3DCC4)C5%3DCN%3DCC%3DC5)C)%5BH%5D)%5BH%5D)%5BH%5D)C)O&inchi=N%2FA&width=350&height=250) |
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27 | CCMSLIB00000078020 | GNPS-SELLECKCHEM-FDA-PART2 | Pemetrexed | [M+H] | 428.16 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | CCC2%3DCNC3NC(%3DNC(C%3D32)%3DO)N)%3DO)CCC(%3DO)O%5BNa%5D)(%3DO)O%5BNa%5D&inchi=N%2FA&width=350&height=250) |
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28 | CCMSLIB00000078021 | GNPS-SELLECKCHEM-FDA-PART2 | Malotilate | [M+Na] | 311.04 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | OC(C)C)%3DC1SC%3DCS1)(%3DO)OC(C)C&inchi=N%2FA&width=350&height=250) |
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29 | CCMSLIB00000078022 | GNPS-SELLECKCHEM-FDA-PART2 | Malotilate | [M+H] | 289.06 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | OC(C)C)%3DC1SC%3DCS1)(%3DO)OC(C)C&inchi=N%2FA&width=350&height=250) |
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30 | CCMSLIB00000078023 | GNPS-SELLECKCHEM-FDA-PART2 | Ivacaftor (VX-770) | [M+H] | 393.22 | qTof | Dorrestein | 1 | negarg | 2014-04-30 16:05:07.0 | (C)C)NC(C2C(C3%3DC(NC%3D2)C%3DCC%3DC3)%3DO)%3DO)O)C(C)(C)C&inchi=N%2FA&width=350&height=250) |
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