1 | CCMSLIB00000208752 | RESPECT | ReSpect:PM000101 2-Hydroxy-3-phenylpropyl-b-D-glucopyranoside | M+H | 332.00 | qTof | Putative ReSpect Match | 3 | mwang87 | 2024-09-30 01:19:25.0 |  |
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2 | CCMSLIB00000208754 | RESPECT | ReSpect:PM000102 3-Phenyl-1-propanol glucoside|3-phenylpropyl-b-D-Glucopyranoside | [M+H] | 316.00 | QqQ | Putative ReSpect Match | 3 | mwang87 | 2014-08-01 16:37:39.0 |  |
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3 | CCMSLIB00000208756 | RESPECT | ReSpect:PM000201 (2E)-3-Phenyl-2-propenyl 6-O-b-D-xylopyranosyl-b-D-glucopyranoside | [M+H] | 451.00 | QqQ | Putative ReSpect Match | 3 | mwang87 | 2014-08-01 16:37:39.0 |  |
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4 | CCMSLIB00000208758 | RESPECT | ReSpect:PM000203 (2E)-3-(4-Methoxyphenyl)-2-propenyl 6-O-a-L-arabinopyranosyl-b-D-glucopyranoside | [M+H] | 481.00 | QqQ | Putative ReSpect Match | 3 | mwang87 | 2014-08-01 16:37:39.0 |  |
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5 | CCMSLIB00000208760 | RESPECT | ReSpect:PM000501 Apigenin 7-O-neohesperidoside | M+H | 579.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:29:46.0 | O%5BC%40%40H%5D2%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(O%5BC%40H%5D2OC3%3DCC(%3DC4C(%3DC3)OC(%3DCC4%3DO)C5%3DCC%3DC(C%3DC5)O)O)CO)O)O)O)O)O&inchi=InChI%3D1S%2FC27H30O14%2Fc1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11%2Fh2-8%2C10%2C18%2C20-30%2C32-36H%2C9H2%2C1H3%2Ft10-%2C18%2B%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26-%2C27%2B%2Fm0%2Fs1&width=350&height=250) |
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6 | CCMSLIB00000208762 | RESPECT | ReSpect:PM000502 Apigenin 7-O-rutinoside | M+H | 579.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:29:51.0 | OCC2C(C(C(C(O2)OC3%3DCC(%3DC4C(%3DC3)OC(%3DCC4%3DO)C5%3DCC%3DC(C%3DC5)O)O)O)O)O)O)O)O&inchi=InChI%3D1S%2FC27H30O14%2Fc1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11%2Fh2-8%2C10%2C18%2C20-29%2C31-36H%2C9H2%2C1H3&width=350&height=250) |
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7 | CCMSLIB00000208764 | RESPECT | ReSpect:PM000503 Kaempferol-7-O-neohesperidoside | M+H | 595.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:29:56.0 | O%5BC%40%40H%5D2%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(O%5BC%40H%5D2OC3%3DCC(%3DC4C(%3DC3)OC(%3DC(C4%3DO)O)C5%3DCC%3DC(C%3DC5)O)O)CO)O)O)O)O)O&inchi=InChI%3D1S%2FC27H30O15%2Fc1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10%2Fh2-7%2C9%2C15%2C17-18%2C20-21%2C23%2C25-32%2C34-37H%2C8H2%2C1H3%2Ft9-%2C15%2B%2C17-%2C18%2B%2C20%2B%2C21-%2C23%2B%2C25%2B%2C26-%2C27%2B%2Fm0%2Fs1&width=350&height=250) |
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8 | CCMSLIB00000208766 | RESPECT | ReSpect:PM000504 Kaempferol 3-O-rutinoside | M+H | 595.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:01.0 | OC%5BC%40%40H%5D2%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(%5BC%40%40H%5D(O2)OC3%3DC(OC4%3DCC(%3DCC(%3DC4C3%3DO)O)O)C5%3DCC%3DC(C%3DC5)O)O)O)O)O)O)O&inchi=InChI%3D1S%2FC27H30O15%2Fc1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10%2Fh2-7%2C9%2C15%2C17-18%2C20-23%2C26-32%2C34-37H%2C8H2%2C1H3%2Ft9-%2C15%2B%2C17-%2C18%2B%2C20%2B%2C21-%2C22%2B%2C23%2B%2C26%2B%2C27-%2Fm0%2Fs1&width=350&height=250) |
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9 | CCMSLIB00000208768 | RESPECT | ReSpect:PM000505 Rutin | M+H | 611.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:06.0 | OC%5BC%40%40H%5D2%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(%5BC%40%40H%5D(O2)OC3%3DC(OC4%3DCC(%3DCC(%3DC4C3%3DO)O)O)C5%3DCC(%3DC(C%3DC5)O)O)O)O)O)O)O)O&inchi=InChI%3D1S%2FC27H30O16%2Fc1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9%2Fh2-6%2C8%2C15%2C17-18%2C20-23%2C26-33%2C35-38H%2C7H2%2C1H3%2Ft8-%2C15%2B%2C17-%2C18%2B%2C20%2B%2C21-%2C22%2B%2C23%2B%2C26%2B%2C27-%2Fm0%2Fs1&width=350&height=250) |
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10 | CCMSLIB00000208770 | RESPECT | ReSpect:PM000506 Narirutin | M+H | 581.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:11.0 | OC%5BC%40%40H%5D2%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(%5BC%40%40H%5D(O2)OC3%3DCC(%3DC4C(%3DO)C%5BC%40H%5D(OC4%3DC3)C5%3DCC%3DC(C%3DC5)O)O)O)O)O)O)O)O&inchi=InChI%3D1S%2FC27H32O14%2Fc1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11%2Fh2-7%2C10%2C16%2C18%2C20-29%2C31-36H%2C8-9H2%2C1H3%2Ft10-%2C16-%2C18%2B%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27%2B%2Fm0%2Fs1&width=350&height=250) |
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11 | CCMSLIB00000208772 | RESPECT | ReSpect:PM000507 Hesperidin | M+H | 611.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:17.0 | OC%5BC%40%40H%5D2%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(%5BC%40%40H%5D(O2)OC3%3DCC(%3DC4C(%3DO)C%5BC%40H%5D(OC4%3DC3)C5%3DCC(%3DC(C%3DC5)OC)O)O)O)O)O)O)O)O&inchi=InChI%3D1S%2FC28H34O15%2Fc1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11%2Fh3-7%2C10%2C17%2C19%2C21-30%2C32-37H%2C8-9H2%2C1-2H3%2Ft10-%2C17-%2C19%2B%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27%2B%2C28%2B%2Fm0%2Fs1&width=350&height=250) |
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12 | CCMSLIB00000208774 | RESPECT | ReSpect:PM000601 Vindoline | M+H | 457.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:22.0 | %5BC%40H%5D(%5BC%40%5D(%5BC%40%40H%5D2OC(%3DO)C)(C(%3DO)OC)O)N(C5%3DC4C%3DCC(%3DC5)OC)C&inchi=InChI%3D1S%2FC25H32N2O6%2Fc1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30%2C22(29)32-5)21(23)33-15(2)28%2Fh7-10%2C14%2C19-21%2C30H%2C6%2C11-13H2%2C1-5H3%2Ft19-%2C20%2B%2C21%2B%2C23%2B%2C24%2B%2C25-%2Fm0%2Fs1&width=350&height=250) |
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13 | CCMSLIB00000208776 | RESPECT | ReSpect:PM000602 Vindolidine | M+H | 427.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:27.0 | CC%3DC2)C5%3DCC%3DCC%3DC5N3C)(C(%3DO)OC)O&inchi=InChI%3D1S%2FC22H28N2O3%2Fc1-4-20-10-7-12-24-13-11-21(17(20)24)15-8-5-6-9-16(15)23(2)18(21)22(26%2C14-20)19(25)27-3%2Fh5-10%2C17-18%2C26H%2C4%2C11-14H2%2C1-3H3%2Fp%2B1%2Ft17-%2C18%3F%2C20-%2C21%2B%2C22%2B%2Fm0%2Fs1&width=350&height=250) |
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14 | CCMSLIB00000208778 | RESPECT | ReSpect:PM000603 Catharanthine | M+H | 337.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:32.0 | CCC4%3DC3NC5%3DCC%3DCC%3DC45)C(%3DO)OC&inchi=InChI%3D1S%2FC21H24N2O2%2Fc1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18%2Fh4-7%2C10%2C13%2C19%2C22H%2C3%2C8-9%2C11-12H2%2C1-2H3%2Ft13-%2C19%2B%2C21-%2Fm0%2Fs1&width=350&height=250) |
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15 | CCMSLIB00000208780 | RESPECT | ReSpect:PM000604 19S-Vindolinine | [M+H] | 337.00 | QIT | Putative ReSpect Match | 3 | mwang87 | 2014-08-01 16:37:39.0 |  |
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16 | CCMSLIB00000208782 | RESPECT | ReSpect:PM000605 Vindolinine | M+H | 337.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:42.0 | CC%3DC3)C6%3DCC%3DCC%3DC6N4)C(%3DO)OC&inchi=InChI%3D1S%2FC21H24N2O2%2Fc1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13%2C20)15(12-19)17(24)25-2%2Fh3-8%2C13%2C15%2C18%2C22H%2C9-12H2%2C1-2H3%2Ft13-%2C15%2B%2C18%2B%2C19%2B%2C20-%2C21-%2Fm1%2Fs1&width=350&height=250) |
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17 | CCMSLIB00000208784 | RESPECT | ReSpect:PM000606 Vincristine | M+H | 825.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:47.0 | C1)C4%3DCC%3DCC%3DC4N3)(C5%3DC(C%3DC6C(%3DC5)%5BC%40%5D78CCN9%5BC%40H%5D7%5BC%40%40%5D(C%3DCC9)(%5BC%40H%5D(%5BC%40%40%5D(%5BC%40%40H%5D8N6C%3DO)(C(%3DO)OC)O)OC(%3DO)C)CC)OC)C(%3DO)OC)O&inchi=InChI%3D1S%2FC46H56N4O10%2Fc1-7-42(55)22-28-23-45(40(53)58-5%2C36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2%2C37(44)49)39(60-27(3)52)46(38%2C56)41(54)59-6%2Fh9-13%2C15%2C20-21%2C26%2C28%2C37-39%2C47%2C55-56H%2C7-8%2C14%2C16-19%2C22-25H2%2C1-6H3%2Ft28-%2C37%2B%2C38-%2C39-%2C42%2B%2C43-%2C44-%2C45%2B%2C46%2B%2Fm1%2Fs1&width=350&height=250) |
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18 | CCMSLIB00000208785 | RESPECT | ReSpect:PM000607 Vinblastine | M+H | 811.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:52.0 | C1)C4%3DCC%3DCC%3DC4N3)(C5%3DC(C%3DC6C(%3DC5)%5BC%40%5D78CCN9%5BC%40H%5D7%5BC%40%40%5D(C%3DCC9)(%5BC%40H%5D(%5BC%40%40%5D(%5BC%40%40H%5D8N6C)(C(%3DO)OC)O)OC(%3DO)C)CC)OC)C(%3DO)OC)O&inchi=InChI%3D1S%2FC46H58N4O9%2Fc1-8-42(54)23-28-24-45(40(52)57-6%2C36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2%2C37(44)50)39(59-27(3)51)46(38%2C55)41(53)58-7%2Fh10-14%2C16%2C21-22%2C28%2C37-39%2C47%2C54-55H%2C8-9%2C15%2C17-20%2C23-26H2%2C1-7H3%2Ft28-%2C37%2B%2C38-%2C39-%2C42%2B%2C43-%2C44-%2C45%2B%2C46%2B%2Fm1%2Fs1&width=350&height=250) |
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19 | CCMSLIB00000208787 | RESPECT | ReSpect:PM000701 Morphine | M+H | 286.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:30:57.0 | O)O%5BC%40H%5D3%5BC%40H%5D(C%3DC4)O&inchi=InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18%2Fh2-5%2C10-11%2C13%2C16%2C19-20H%2C6-8H2%2C1H3%2Ft10-%2C11%2B%2C13-%2C16-%2C17-%2Fm0%2Fs1&width=350&height=250) |
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20 | CCMSLIB00000208789 | RESPECT | ReSpect:PM000702 Codeine | M+H | 300.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:02.0 | OC)O%5BC%40H%5D3%5BC%40H%5D(C%3DC4)O&inchi=InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19%2Fh3-6%2C11-13%2C17%2C20H%2C7-9H2%2C1-2H3%2Ft11-%2C12%2B%2C13-%2C17-%2C18-%2Fm0%2Fs1&width=350&height=250) |
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21 | CCMSLIB00000208791 | RESPECT | ReSpect:PM000703 Morphinone | M+H | 284.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:07.0 | O)O%5BC%40H%5D3C(%3DO)C%3DC4&inchi=InChI%3D1S%2FC17H17NO3%2Fc1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18%2Fh2-5%2C10-11%2C16%2C19H%2C6-8H2%2C1H3%2Ft10-%2C11%2B%2C16-%2C17-%2Fm0%2Fs1&width=350&height=250) |
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22 | CCMSLIB00000208793 | RESPECT | ReSpect:PM000704 Codeinone | M+H | 298.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:12.0 | OC)O%5BC%40H%5D3C(%3DO)C%3DC4&inchi=InChI%3D1S%2FC18H19NO3%2Fc1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19%2Fh3-6%2C11-12%2C17H%2C7-9H2%2C1-2H3%2Ft11-%2C12%2B%2C17-%2C18-%2Fm0%2Fs1&width=350&height=250) |
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23 | CCMSLIB00000208795 | RESPECT | ReSpect:PM000705 Neopinone | M+H | 298.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:18.0 | CC%3DC2%5BC%40H%5D1CC5%3DC3C(%3DC(C%3DC5)OC)O4&inchi=InChI%3D1S%2FC18H19NO3%2Fc1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19%2Fh3-4%2C6%2C12%2C17H%2C5%2C7-9H2%2C1-2H3%2Ft12-%2C17%2B%2C18%2B%2Fm1%2Fs1&width=350&height=250) |
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24 | CCMSLIB00000208797 | RESPECT | ReSpect:PM000706 Thebaine | M+H | 312.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:23.0 | OC)O4)OC&inchi=InChI%3D1S%2FC19H21NO3%2Fc1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20%2Fh4-7%2C13%2C18H%2C8-10H2%2C1-3H3%2Ft13-%2C18%2B%2C19%2B%2Fm1%2Fs1&width=350&height=250) |
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25 | CCMSLIB00000208799 | RESPECT | ReSpect:PM000707 Oripavine | M+H | 298.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:28.0 | O)O4)OC&inchi=InChI%3D1S%2FC18H19NO3%2Fc1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19%2Fh3-6%2C12%2C17%2C20H%2C7-9H2%2C1-2H3%2Ft12-%2C17%2B%2C18%2B%2Fm1%2Fs1&width=350&height=250) |
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26 | CCMSLIB00000208800 | RESPECT | ReSpect:PM000708 Salutaridine | M+H | 328.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:33.0 | C%3DC2%5BC%40H%5D1CC4%3DC3C(%3DC(C%3DC4)OC)O)OC&inchi=InChI%3D1S%2FC19H21NO4%2Fc1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19%2Fh4-5%2C9-10%2C13%2C22H%2C6-8H2%2C1-3H3%2Ft13-%2C19%2B%2Fm1%2Fs1&width=350&height=250) |
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27 | CCMSLIB00000208802 | RESPECT | ReSpect:PM000709 Salutaridinol | M+H | 330.00 | Ion Trap | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:38.0 | OC)O)O)OC&inchi=InChI%3D1S%2FC19H23NO4%2Fc1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19%2Fh4-5%2C9-10%2C13-14%2C21-22H%2C6-8H2%2C1-3H3%2Ft13-%2C14%2B%2C19%2B%2Fm1%2Fs1&width=350&height=250) |
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28 | CCMSLIB00000208804 | RESPECT | ReSpect:PM000801 5a-Hydroxy-9a,10b,13a-triacetoxy-taxa-4(20),11-diene | [M+H] | 463.00 | QqQ | Putative ReSpect Match | 3 | mwang87 | 2014-08-01 16:37:39.0 |  |
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29 | CCMSLIB00000208807 | RESPECT | ReSpect:PM000802 Taxinine A | M+H | 477.00 | QQQ | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:43.0 | %5BC%40H%5D3%5BC%40%40H%5D(%5BC%40%40H%5D(C2(C)C)CC1%3DO)OC(%3DO)C)O)C)OC(%3DO)C)OC(%3DO)C&inchi=InChI%3D1S%2FC26H36O8%2Fc1-12-18(30)9-10-26(8)21(12)22(32-14(3)27)17-11-19(31)13(2)20(25(17%2C6)7)23(33-15(4)28)24(26)34-16(5)29%2Fh17-18%2C21-24%2C30H%2C1%2C9-11H2%2C2-8H3%2Ft17-%2C18-%2C21-%2C22%2B%2C23%2B%2C24-%2C26%2B%2Fm0%2Fs1&width=350&height=250) |
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30 | CCMSLIB00000208808 | RESPECT | ReSpect:PM000803 2-Deacetyldecinnamoyl taxinine E | M+H | 479.00 | QQQ | Putative ReSpect Match | 3 | mwang87 | 2021-03-20 15:31:48.0 | %5BC%40H%5D3%5BC%40%40H%5D(C(C2(C)C)C%5BC%40%40H%5D1OC(%3DO)C)O)O)C)OC(%3DO)C)OC(%3DO)C&inchi=InChI%3D1S%2FC26H38O8%2Fc1-12-18(30)9-10-26(8)20(12)22(31)17-11-19(32-14(3)27)13(2)21(25(17%2C6)7)23(33-15(4)28)24(26)34-16(5)29%2Fh17-20%2C22-24%2C30-31H%2C1%2C9-11H2%2C2-8H3%2Ft17%3F%2C18-%2C19-%2C20-%2C22%2B%2C23%2B%2C24-%2C26%2B%2Fm0%2Fs1&width=350&height=250) |
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