 1 | CCMSLIB00000845086 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00187465-02 | | (E)-1-(5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-3-phenylprop-2-en-1-one |
| M-H | 335.13 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(C(%3DO)%5CC%3DC%5CC2%3DCC%3DCC%3DC2)%3DC3OC(C)(C)C%3DCC3%3DC1O&inchi=InChI%3D1S%2FC21H20O4%2Fc1-13-18(23)15-11-12-21(2%2C3)25-20(15)17(19(13)24)16(22)10-9-14-7-5-4-6-8-14%2Fh4-12%2C23-24H%2C1-3H3%2Fb10-9%2B&width=350&height=250) |
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| 2 | CCMSLIB00000845088 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | M-H | 407.13 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | %3DO)CC3%3DCC4%3DC(C(O)C(O)C(O)C4%3DO)C(O)%3DC3C(O2)C1C&inchi=InChI%3D1S%2FC20H24O9%2Fc1-3-10-7(2)19-12-8(5-20(28-10%2C29-19)6-11(21)22)4-9-13(15(12)24)16(25)18(27)17(26)14(9)23%2Fh4%2C7%2C10%2C16-19%2C24-27H%2C3%2C5-6H2%2C1-2H3%2C(H%2C21%2C22)&width=350&height=250) |
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| 3 | CCMSLIB00000845090 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00169680-02 | | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid |
| M-H | 459.09 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | %5BC%40H%5D(O)%5BC%40H%5D2O)C(O)%3DO)C%3DC3OC(%3DCC(%3DO)C3%3DC1O)C4%3DCC%3DCC%3DC4&inchi=InChI%3D1S%2FC22H20O11%2Fc1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9%2Fh2-8%2C16-18%2C20%2C22%2C24-27H%2C1H3%2C(H%2C28%2C29)%2Ft16-%2C17-%2C18%2B%2C20-%2C22%2B%2Fm0%2Fs1&width=350&height=250) |
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| 4 | CCMSLIB00000845092 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00384671-01 | | 2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one |
| M-H | 549.16 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C3CC(%3DO)C4%3DCC%3DC(O)C%3DC4O3)C(OC5OCC(O)(CO)C5O)C(O)C1O&inchi=InChI%3D1S%2FC26H30O13%2Fc27-9-19-20(31)21(32)22(39-25-23(33)26(34%2C10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17%2Fh1-7%2C17%2C19-25%2C27-29%2C31-34H%2C8-11H2&width=350&height=250) |
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| 5 | CCMSLIB00000845094 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00384671-01 | | 2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one |
| M-H2O-H | 531.15 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | |
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| 6 | CCMSLIB00000845095 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00169359-03 | | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| M-H | 579.17 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | CC(O4)C5%3DCC%3DC(O)C%3DC5)C(O)%3DC3)%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40%40H%5D2O)%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D1O&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%3F%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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| 7 | CCMSLIB00000845097 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00169359-03 | | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| M+FA-H | 625.18 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | |
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| 8 | CCMSLIB00000845103 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00178486-02 | | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| M-H | 431.10 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C%3DC(O3)C4%3DCC%3DC(O)C%3DC4)C(O)%3DC2)%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40%40H%5D1O&inchi=InChI%3D1S%2FC21H20O10%2Fc22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9%2Fh1-7%2C16%2C18-24%2C26-28H%2C8H2%2Ft16-%2C18-%2C19%2B%2C20-%2C21-%2Fm1%2Fs1&width=350&height=250) |
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| 9 | CCMSLIB00000845105 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00169000-02 | | [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| M-H | 755.24 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | %5BC%40H%5D(OCCC3%3DCC(O)%3DC(O)C%3DC3)O%5BC%40H%5D(CO%5BC%40%40H%5D4OC%5BC%40%5D(O)(CO)%5BC%40H%5D4O)%5BC%40H%5D2OC(%3DO)%5CC%3DC%5CC5%3DCC(O)%3DC(O)C%3DC5)%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D1O&inchi=InChI%3D1S%2FC34H44O19%2Fc1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46%2C13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16%2Fh2-7%2C10-11%2C15%2C22%2C24-33%2C35-39%2C41-46H%2C8-9%2C12-14H2%2C1H3%2Fb7-4%2B%2Ft15-%2C22%2B%2C24-%2C25%2B%2C26%2B%2C27%2B%2C28%2B%2C29%2B%2C30-%2C31%2B%2C32-%2C33%2B%2C34%2B%2Fm0%2Fs1&width=350&height=250) |
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| 10 | CCMSLIB00000845107 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00385263-01 | | [(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate |
| M-H | 787.10 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C2%3DCC(O)%3DC(O)C(O)%3DC2)%5BC%40H%5D(OC(%3DO)C3%3DCC(O)%3DC(O)C(O)%3DC3)%5BC%40%40H%5D(OC(%3DO)C4%3DCC(O)%3DC(O)C(O)%3DC4)%5BC%40%40H%5D1OC(%3DO)C5%3DCC(O)%3DC(O)C(O)%3DC5&inchi=InChI%3D1S%2FC34H28O22%2Fc35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13%2Fh1-8%2C22%2C27-29%2C34-47H%2C9H2%2Ft22-%2C27-%2C28%2B%2C29-%2C34%2B%2Fm1%2Fs1&width=350&height=250) |
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| 11 | CCMSLIB00000845109 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00179791-03 | | 1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one |
| M+FA-H | 521.20 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C%3DC2)CC(%3DO)CCC3%3DCC%3DC(O)C%3DC3)%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40%40H%5D1O&inchi=InChI%3D1S%2FC25H32O9%2Fc26-14-21-22(30)23(31)24(32)25(34-21)33-20(12-6-16-3-9-18(28)10-4-16)13-19(29)11-5-15-1-7-17(27)8-2-15%2Fh1-4%2C7-10%2C20-28%2C30-32H%2C5-6%2C11-14H2%2Ft20%3F%2C21-%2C22-%2C23%2B%2C24-%2C25-%2Fm1%2Fs1&width=350&height=250) |
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| 12 | CCMSLIB00000845114 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | M-H | 503.08 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C%3DC(O)C4%3DC3C5%3DC6C2%3DC(C(O)%3DC1)C(%3DO)C7%3DC6C(%3DC(O)C%3DC7O)C8%3DC5C(C4%3DO)%3DC(O)C%3DC8O&inchi=InChI%3D1S%2FC30H16O8%2Fc1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28%2Fh3-6%2C31-36H%2C1-2H3&width=350&height=250) |
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| 13 | CCMSLIB00000845115 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | M+FA-H | 591.27 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C23CCNC2CC45OC6(O)CC7N4CCC7(C(C6)C5%3DC3)C8%3DCC%3DC(OC)C(OC)%3DC8&inchi=InChI%3D1S%2FC32H38N2O6%2Fc1-36-23-7-5-19(13-25(23)38-3)29-9-11-33-27(29)17-32-22(15-29)21-16-30(35%2C40-32)18-28-31(21%2C10-12-34(28)32)20-6-8-24(37-2)26(14-20)39-4%2Fh5-8%2C13-15%2C21%2C27-28%2C33%2C35H%2C9-12%2C16-18H2%2C1-4H3&width=350&height=250) |
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| 14 | CCMSLIB00000845117 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00180396-02 | | 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| M-H | 577.16 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | %5BC%40H%5D(O)%5BC%40%40H%5D(CO)O%5BC%40H%5D2C3%3DC(O)C4%3DC(OC(%3DCC4%3DO)C5%3DCC%3DC(O)C%3DC5)C%3DC3O)%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D1O&inchi=InChI%3D1S%2FC27H30O14%2Fc1-9-19(32)22(35)24(37)27(38-9)41-26-23(36)20(33)16(8-28)40-25(26)18-13(31)7-15-17(21(18)34)12(30)6-14(39-15)10-2-4-11(29)5-3-10%2Fh2-7%2C9%2C16%2C19-20%2C22-29%2C31-37H%2C8H2%2C1H3%2Ft9-%2C16%2B%2C19-%2C20%2B%2C22%2B%2C23-%2C24%2B%2C25-%2C26%2B%2C27-%2Fm0%2Fs1&width=350&height=250) |
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| 15 | CCMSLIB00000845119 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00381159-01 | | 2-[[3,21-dihydroxy-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosan-2-yl]amino]acetic acid |
| M-H | 592.41 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(CCCCCCCCCCCCCCCCC(O)C(C)NCC(O)%3DO)OC1OC(CO)C(O)C(O)C1O&inchi=InChI%3D1S%2FC30H59NO10%2Fc1-21(31-19-26(35)36)23(34)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(22(2)33)40-30-29(39)28(38)27(37)25(20-32)41-30%2Fh21-25%2C27-34%2C37-39H%2C3-20H2%2C1-2H3%2C(H%2C35%2C36)&width=350&height=250) |
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| 16 | CCMSLIB00000845121 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00381158-01 | | [2-[4-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butyl]-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate |
| M+FA-H | 877.32 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | %5CC%3DC(C)%5CC%3DC%5CC1%3DCC2%3DC(Cl)C(%3DO)C(C)(OC(C)%3DO)C(%3DO)C2%3DCN1CCCCN3C%3DC4C(%3DO)C(C)(OC(C)%3DO)C(%3DO)C(Cl)%3DC4C%3DC3%5CC%3DC%5CC(C)%3DC%5CC(C)CC&inchi=InChI%3D1S%2FC46H54Cl2N2O8%2Fc1-11-27(3)21-29(5)15-17-33-23-35-37(41(53)45(9%2C57-31(7)51)43(55)39(35)47)25-49(33)19-13-14-20-50-26-38-36(24-34(50)18-16-30(6)22-28(4)12-2)40(48)44(56)46(10%2C42(38)54)58-32(8)52%2Fh15-18%2C21-28H%2C11-14%2C19-20H2%2C1-10H3%2Fb17-15%2B%2C18-16%2B%2C29-21%2B%2C30-22%2B&width=350&height=250) |
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| 17 | CCMSLIB00000845123 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00347746-02 | | 1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid |
| M-H | 519.15 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(%3DC)C23)C(O)%3DO)C(OC(%3DO)%5CC%3DC%5CC4%3DCC%3DC(O)C%3DC4)C(O)C1O&inchi=InChI%3D1S%2FC25H28O12%2Fc1-11-16(28)8-14-15(23(32)33)10-34-24(19(11)14)37-25-22(21(31)20(30)17(9-26)35-25)36-18(29)7-4-12-2-5-13(27)6-3-12%2Fh2-7%2C10%2C14%2C16-17%2C19-22%2C24-28%2C30-31H%2C1%2C8-9H2%2C(H%2C32%2C33)%2Fb7-4%2B&width=350&height=250) |
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| 18 | CCMSLIB00000845125 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00347746-02 | | 1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid |
| M+FA-H | 565.16 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | |
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| 19 | CCMSLIB00000845127 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00347678-02 | | 7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one |
| M-H | 461.18 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(O)%3DC2)CC(%3DO)CCC3%3DCC%3DC(O)C%3DC3)%5BC%40H%5D(O)%5BC%40H%5D1O&inchi=InChI%3D1S%2FC24H30O9%2Fc25-16-6-1-14(2-7-16)3-8-17(26)12-18(9-4-15-5-10-19(27)20(28)11-15)33-24-23(31)22(30)21(29)13-32-24%2Fh1-2%2C5-7%2C10-11%2C18%2C21-25%2C27-31H%2C3-4%2C8-9%2C12-13H2%2Ft18%3F%2C21-%2C22%2B%2C23-%2C24%2B%2Fm1%2Fs1&width=350&height=250) |
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| 20 | CCMSLIB00000845129 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00347678-02 | | 7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one |
| M+FA-H | 507.19 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | |
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| 21 | CCMSLIB00000845131 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00384547-01 | | 6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one |
| M+FA-H | 545.15 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(O)C(O)C3O)C(O)C(O)C2O)C%3DC4OC(%3DO)C%3DCC4%3DC1&inchi=InChI%3D1S%2FC22H28O13%2Fc1-8-15(24)17(26)19(28)21(32-8)31-7-13-16(25)18(27)20(29)22(35-13)34-12-6-10-9(5-11(12)30-2)3-4-14(23)33-10%2Fh3-6%2C8%2C13%2C15-22%2C24-29H%2C7H2%2C1-2H3&width=350&height=250) |
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| 22 | CCMSLIB00000845133 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00384551-01 | | 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| M-H | 537.08 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C2%3DCC(%3DO)C3%3DC(O)C(%3DC(O)C%3DC3O2)C4%3DC5OC(%3DCC(%3DO)C5%3DC(O)C%3DC4O)C6%3DCC%3DC(O)C%3DC6&inchi=InChI%3D1S%2FC30H18O10%2Fc31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14%2Fh1-12%2C31-34%2C37-38H&width=350&height=250) |
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| 23 | CCMSLIB00000845135 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00384548-01 | | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| M-H | 539.16 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | CC1%3DCC(%3DO)C2%3DC(C)C%3DC(O)C(%5BC%40%40H%5D3O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D3OC(%3DO)%5CC%3DC%5CC4%3DCC%3DC(O)C%3DC4)%3DC2O1&inchi=InChI%3D1S%2FC28H28O11%2Fc1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15%2Fh3-9%2C11%2C20%2C24-25%2C27-29%2C31-32%2C35-36H%2C10%2C12H2%2C1-2H3%2Fb8-5%2B%2Ft20-%2C24-%2C25%2B%2C27%2B%2C28-%2Fm1%2Fs1&width=350&height=250) |
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| 24 | CCMSLIB00000845137 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00384546-01 | | 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one |
| M+FA-H | 691.21 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | %5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40H%5D3O)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D2O%5BC%40%40H%5D4O%5BC%40%40H%5D(C)%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40H%5D4O)C%3DC5OC(%3DO)C%3DCC5%3DC1&inchi=InChI%3D1S%2FC28H38O17%2Fc1-9-17(30)20(33)23(36)26(40-9)39-8-15-19(32)22(35)25(45-27-24(37)21(34)18(31)10(2)41-27)28(44-15)43-14-7-12-11(6-13(14)38-3)4-5-16(29)42-12%2Fh4-7%2C9-10%2C15%2C17-28%2C30-37H%2C8H2%2C1-3H3%2Ft9-%2C10-%2C15%2B%2C17-%2C18-%2C19%2B%2C20%2B%2C21%2B%2C22-%2C23%2B%2C24%2B%2C25%2B%2C26%2B%2C27-%2C28%2B%2Fm0%2Fs1&width=350&height=250) |
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| 25 | CCMSLIB00000845139 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00380553-01 | | [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| M-H | 483.08 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(COC(%3DO)C2%3DCC(O)%3DC(O)C(O)%3DC2)OC(OC(%3DO)C3%3DCC(O)%3DC(O)C(O)%3DC3)C1O&inchi=InChI%3D1S%2FC20H20O14%2Fc21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7%2Fh1-4%2C12%2C15-17%2C20-29H%2C5H2&width=350&height=250) |
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| 26 | CCMSLIB00000845142 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00169840-02 | | [2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| M-H | 505.19 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C%3DCC(CC2COC(C2COC(%3DO)%5CC%3DC%5CC3%3DCC%3DC(O)C%3DC3)C4%3DCC(OC)%3DC(O)C%3DC4)%3DC1&inchi=InChI%3D1S%2FC29H30O8%2Fc1-34-26-14-19(5-10-24(26)31)13-21-16-37-29(20-7-11-25(32)27(15-20)35-2)23(21)17-36-28(33)12-6-18-3-8-22(30)9-4-18%2Fh3-12%2C14-15%2C21%2C23%2C29-32H%2C13%2C16-17H2%2C1-2H3%2Fb12-6%2B&width=350&height=250) |
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| 27 | CCMSLIB00000845143 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00380543-01 | | [(2R,3S,4S,5R,6R)-6-[(5,8-dihydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| M-H | 507.12 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | %5BC%40%40H%5D(COC(%3DO)C2%3DCC(O)%3DC(O)C(O)%3DC2)O%5BC%40%40H%5D(OC3CCC(%3DO)C4%3DC(O)C%3DCC(O)%3DC34)%5BC%40%40H%5D1O&inchi=InChI%3D1S%2FC23H24O13%2Fc24-9-1-2-11(26)17-14(4-3-10(25)16(9)17)35-23-21(32)20(31)19(30)15(36-23)7-34-22(33)8-5-12(27)18(29)13(28)6-8%2Fh1-2%2C5-6%2C14-15%2C19-21%2C23-24%2C26-32H%2C3-4%2C7H2%2Ft14%3F%2C15-%2C19-%2C20%2B%2C21-%2C23-%2Fm1%2Fs1&width=350&height=250) |
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| 28 | CCMSLIB00000845146 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00380113-01 | | 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| M+FA-H | 555.32 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(C)(O)C1CCC2(O)C3%3DCC(%3DO)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO&inchi=InChI%3D1S%2FC28H46O8%2Fc1-15(26(4%2C34)14-29)10-23(33)27(5%2C35)22-7-9-28(36)17-11-19(30)18-12-20(31)21(32)13-24(18%2C2)16(17)6-8-25(22%2C28)3%2Fh11%2C15-16%2C18%2C20-23%2C29%2C31-36H%2C6-10%2C12-14H2%2C1-5H3&width=350&height=250) |
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| 29 | CCMSLIB00000845147 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00169275-02 | | 5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one |
| M+FA-H | 429.13 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | C(O)C(C)(O)%5CC%3DC%5CC1%3DCC2%3DC(Cl)C(%3DO)C(C)(O)C(O)C2%3DCO1&inchi=InChI%3D1S%2FC19H25ClO6%2Fc1-5-10(2)15(21)18(3%2C24)7-6-11-8-12-13(9-26-11)16(22)19(4%2C25)17(23)14(12)20%2Fh6-10%2C15-16%2C21-22%2C24-25H%2C5H2%2C1-4H3%2Fb7-6%2B&width=350&height=250) |
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| 30 | CCMSLIB00000845150 | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | | NCGC00180673-03 | | 1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone |
| M-H | 599.34 | Maxis II HD Q-TOF Bruker | Jadhav/Dorrestein | 1 | mwang87 | 2017-01-30 15:18:11.0 | CCC(%3DO)N(O)CCCCCNC(%3DO)CCC(%3DO)N(O)CCCCCNC(%3DO)CCC1%3DO&inchi=InChI%3D1S%2FC27H48N6O9%2Fc34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22%2Fh40-42H%2C1-21H2%2C(H%2C28%2C34)(H%2C29%2C35)(H%2C30%2C36)&width=350&height=250) |
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