1 | CCMSLIB00010007697 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | N-acetylanonaine | M+H | 308.13 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | N1CCC2%3DCC3%3DC(C4%3DC2C1CC5%3DCC%3DCC%3DC54)OCO3&inchi=%221S%2FC19H17NO3%2Fc1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18%2Fh2-5%2C9%2C15H%2C6-8%2C10H2%2C1H3%22&width=350&height=250) |
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2 | CCMSLIB00010007698 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | (+)-oxypeucedanin | M+H | 287.09 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | COC2%3DC3C%3DCC(%3DO)OC3%3DCC4%3DC2C%3DCO4)C&inchi=%221S%2FC16H14O5%2Fc1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11%2Fh3-7%2C13H%2C8H2%2C1-2H3%2Ft13-%2Fm1%2Fs1%22&width=350&height=250) |
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3 | CCMSLIB00010007699 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | piceatannol | M+H | 245.08 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | O)O)O)O&inchi=%221S%2FC14H12O4%2Fc15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9%2Fh1-8%2C15-18H%2Fb2-1%2B%22&width=350&height=250) |
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4 | CCMSLIB00010007700 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | aconitine | M+H | 646.33 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | %5BC%40%40%5D5(%5BC%40%40H%5D6%5BC%40H%5D4C%5BC%40%40%5D(%5BC%40%40H%5D6OC(%3DO)C7%3DCC%3DCC%3DC7)(%5BC%40H%5D(%5BC%40%40H%5D5O)OC)O)OC(%3DO)C)OC)OC)O)COC&inchi=%221S%2FC34H47NO11%2Fc1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36%2C27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33%2Fh8-12%2C19-29%2C37-38%2C40H%2C7%2C13-16H2%2C1-6H3%2Ft19-%2C20-%2C21%2B%2C22-%2C23%2B%2C24%2B%2C25-%2C26%3F%2C27%2B%2C28-%2C29%2B%2C31%2B%2C32-%2C33%2B%2C34-%2Fm1%2Fs1%22&width=350&height=250) |
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5 | CCMSLIB00010007701 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | adenosine | M+H | 268.10 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | N(C%3DN2)%5BC%40H%5D3%5BC%40%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(O3)CO)O)O)N&inchi=%221S%2FC10H13N5O4%2Fc11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10%2Fh2-4%2C6-7%2C10%2C16-18H%2C1H2%2C(H2%2C11%2C12%2C13)%2Ft4-%2C6-%2C7-%2C10-%2Fm1%2Fs1%22&width=350&height=250) |
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6 | CCMSLIB00010007702 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | ajmalicine | M+H | 353.19 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C(%3DO)OC)NC5%3DCC%3DCC%3DC45&inchi=%221S%2FC21H24N2O3%2Fc1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2%2Fh3-6%2C11-12%2C15-16%2C19%2C22H%2C7-10H2%2C1-2H3%2Ft12-%2C15-%2C16%2B%2C19-%2Fm0%2Fs1%22&width=350&height=250) |
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7 | CCMSLIB00010007703 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | p-aminobenzoic acid | M+H | 138.05 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | O)N&inchi=%221S%2FC7H7NO2%2Fc8-6-3-1-5(2-4-6)7(9)10%2Fh1-4H%2C8H2%2C(H%2C9%2C10)%22&width=350&height=250) |
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8 | CCMSLIB00010007704 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | betaine | M+H | 118.08 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | (C)CC(%3DO)%5BO-%5D&inchi=%221S%2FC5H11NO2%2Fc1-6(2%2C3)4-5(7)8%2Fh4H2%2C1-3H3%22&width=350&height=250) |
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9 | CCMSLIB00010007705 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | rhaponticin | M+H | 421.15 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | %2FC%3DC%2FC2%3DCC(%3DCC(%3DC2)O%5BC%40H%5D3%5BC%40%40H%5D(%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(O3)CO)O)O)O)O)O&inchi=%221S%2FC21H24O9%2Fc1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21%2Fh2-9%2C17-27H%2C10H2%2C1H3%2Fb3-2%2B%2Ft17-%2C18-%2C19%2B%2C20-%2C21-%2Fm1%2Fs1%22&width=350&height=250) |
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10 | CCMSLIB00010007706 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | codeine | M+H | 300.16 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | OC)O%5BC%40H%5D3%5BC%40H%5D(C%3DC4)O&inchi=%221S%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%22&width=350&height=250) |
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11 | CCMSLIB00010007707 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | colchicine | M+H | 400.18 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | NC1CCC2%3DCC(%3DC(C(%3DC2C3%3DCC%3DC(C(%3DO)C%3DC13)OC)OC)OC)OC&inchi=%221S%2FC22H25NO6%2Fc1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16%2Fh7%2C9-11%2C16H%2C6%2C8H2%2C1-5H3%2C(H%2C23%2C24)%2Ft16-%2Fm0%2Fs1%22&width=350&height=250) |
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12 | CCMSLIB00010007708 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | confusameline | M+H | 216.06 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | O&inchi=%221S%2FC12H9NO3%2Fc1-15-11-8-3-2-7(14)6-10(8)13-12-9(11)4-5-16-12%2Fh2-6%2C14H%2C1H3%22&width=350&height=250) |
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13 | CCMSLIB00010007709 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | (-)-corydalmine | M+H | 342.17 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C(%3DC(C%3DC4)O)OC)OC&inchi=%221S%2FC20H23NO4%2Fc1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2%2Fh4-5%2C9-10%2C16%2C22H%2C6-8%2C11H2%2C1-3H3%2Ft16-%2Fm0%2Fs1%22&width=350&height=250) |
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14 | CCMSLIB00010007710 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | crassicauline A | M+H | 644.34 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C5(CC(C6(CC4C5C6OC(%3DO)C7%3DCC%3DC(C%3DC7)OC)O)OC)OC(%3DO)C)OC)OC)COC&inchi=%221S%2FC35H49NO10%2Fc1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37%2C26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20%2Fh9-12%2C22-30%2C39H%2C8%2C13-18H2%2C1-7H3%22&width=350&height=250) |
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15 | CCMSLIB00010007711 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | (+)-crinamine | M+H | 302.14 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C(CN2CC4%3DCC5%3DC(C%3DC34)OCO5)O&inchi=%221S%2FC17H19NO4%2Fc1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11%2Fh2-4%2C6%2C11%2C15-16%2C19H%2C5%2C7-9H2%2C1H3%2Ft11-%2C15-%2C16-%2C17-%2Fm0%2Fs1%22&width=350&height=250) |
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16 | CCMSLIB00010007712 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | dictamine | M+H | 200.07 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | 13-12-9(11)6-7-15-12%2Fh2-7H%2C1H3%22&width=350&height=250) |
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17 | CCMSLIB00010007713 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | rhapontigenin | M+H | 259.10 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | %2FC%3DC%2FC2%3DCC(%3DCC(%3DC2)O)O)O&inchi=%221S%2FC15H14O4%2Fc1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11%2Fh2-9%2C16-18H%2C1H3%2Fb3-2%2B%22&width=350&height=250) |
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18 | CCMSLIB00010007714 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | evodiamine | M+H | 304.14 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C4%3DCC%3DCC%3DC41)C5%3DCC%3DCC%3DC5N3&inchi=%221S%2FC19H17N3O%2Fc1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22%2Fh2-9%2C18%2C20H%2C10-11H2%2C1H3%2Ft18-%2Fm0%2Fs1%22&width=350&height=250) |
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19 | CCMSLIB00010007715 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | evolitrine | M+H | 230.08 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C(%3DC3C%3DCOC3%3DN2)OC&inchi=%221S%2FC13H11NO3%2Fc1-15-8-3-4-9-11(7-8)14-13-10(5-6-17-13)12(9)16-2%2Fh3-7H%2C1-2H3%22&width=350&height=250) |
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20 | CCMSLIB00010007716 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | gamma-fagarine | M+H | 230.08 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C%3DCO3&inchi=%221S%2FC13H11NO3%2Fc1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2%2Fh3-7H%2C1-2H3%22&width=350&height=250) |
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21 | CCMSLIB00010007717 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | foresaconitine | M+H | 628.35 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C5(CC(C6CC4C5C6OC(%3DO)C7%3DCC%3DC(C%3DC7)OC)OC)OC(%3DO)C)OC)OC)COC&inchi=%221S%2FC35H49NO9%2Fc1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37%2C27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20%2Fh9-12%2C22-31H%2C8%2C13-18H2%2C1-7H3%2Ft22-%2C23-%2C24%2B%2C25%2B%2C26-%2C27%2B%2C28%2B%2C29%2B%2C30-%2C31%3F%2C33%2B%2C34-%2C35%2B%2Fm1%2Fs1%22&width=350&height=250) |
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22 | CCMSLIB00010007718 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | harman | M+H | 183.09 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | 9-4-2-3-5-11(9)14-12%2Fh2-7%2C14H%2C1H3%22&width=350&height=250) |
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23 | CCMSLIB00010007719 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | harmaline | M+H | 215.12 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | OC&inchi=%221S%2FC13H14N2O%2Fc1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13%2Fh3-4%2C7%2C15H%2C5-6H2%2C1-2H3%22&width=350&height=250) |
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24 | CCMSLIB00010007720 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | haplopine | M+H | 246.08 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | O&inchi=%221S%2FC13H11NO4%2Fc1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13%2Fh3-6%2C15H%2C1-2H3%22&width=350&height=250) |
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25 | CCMSLIB00010007721 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | trans-resveratrol | M+H | 229.09 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | O)O)O&inchi=%221S%2FC14H12O3%2Fc15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11%2Fh1-9%2C15-17H%2Fb2-1%2B%22&width=350&height=250) |
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26 | CCMSLIB00010007722 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | inuline | M+H | 587.34 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | (C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(%3DO)C7%3DCC%3DCC%3DC7N&inchi=%221S%2FC32H46N2O8%2Fc1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36%2C23(19)24(18)40-4)32(37%2C28(31)34)26(41-5)25(29)31%2Fh7-10%2C18-19%2C21-26%2C28%2C36-37H%2C6%2C11-16%2C33H2%2C1-5H3%2Ft18-%2C19-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C25-%2C26%2B%2C28%3F%2C29%2B%2C30-%2C31%3F%2C32%3F%2Fm1%2Fs1%22&width=350&height=250) |
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27 | CCMSLIB00010007723 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | 6-hydroxykynurenic acid | M+H | 206.04 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C(%3DO)C%3DC(N2)C(%3DO)O&inchi=%221S%2FC10H7NO4%2Fc12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15%2Fh1-4%2C12H%2C(H%2C11%2C13)(H%2C14%2C15)%22&width=350&height=250) |
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28 | CCMSLIB00010007724 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | hypaconitine | M+H | 616.31 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | OC12C3C(CC(C3OC(%3DO)C4%3DCC%3DCC%3DC4)(C(C1O)OC)O)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC&inchi=%221S%2FC33H45NO10%2Fc1-17(35)44-33-21-19(14-31(38%2C28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32%2Fh7-11%2C19-28%2C36%2C38H%2C12-16H2%2C1-6H3%2Ft19-%2C20%2B%2C21-%2C22%2B%2C23%2B%2C24-%2C25%3F%2C26%2B%2C27-%2C28%2B%2C30%2B%2C31-%2C32%2B%2C33-%2Fm1%2Fs1%22&width=350&height=250) |
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29 | CCMSLIB00010007725 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | hypoxanthine | M+H | 137.04 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C(%3DO)NC%3DN2&inchi=%221S%2FC5H4N4O%2Fc10-5-3-4(7-1-6-3)8-2-9-5%2Fh1-2H%2C(H2%2C6%2C7%2C8%2C9%2C10)%22&width=350&height=250) |
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30 | CCMSLIB00010007726 | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | indole 3-butyric acid | M+H | 204.10 | qTof | Sang Hee SHIM Kyo Bin Kang | 1 | mpanitchpakdi | 2022-05-13 11:03:45.0 | C(%3DCN2)CCCC(%3DO)O&inchi=%221S%2FC12H13NO2%2Fc14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11%2Fh1-2%2C5-6%2C8%2C13H%2C3-4%2C7H2%2C(H%2C14%2C15)%22&width=350&height=250) |
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