GNPS Public Spectral Library

Spectra
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1CCMSLIB00000845012GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00380169-01
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid
M+H313.09qTofJadhav/Dorrestein1mwang872022-10-24 05:14:02.0
2CCMSLIB00000845013GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00380169-01
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid
M+NH4330.12Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
3CCMSLIB00000845014GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00380167-01
3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate
M+H331.15Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
4CCMSLIB00000845015GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00380167-01
3-(4-hydroxy-3-methoxyphenyl)propyl 3-(4-hydroxyphenyl)propanoate
M+NH4348.18Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
5CCMSLIB00000845016GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00380168-01
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
M+H413.16Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
6CCMSLIB00000845017GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00380168-01
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
M+NH4430.19Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
7CCMSLIB00000845018GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00347503-02
8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol
M+NH4448.29Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
8CCMSLIB00000845019GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00347503-02
8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol
M+ACN+H472.29Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
9CCMSLIB00000845020GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00380568-01
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
M+NH4476.21Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
10CCMSLIB00000845021GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00180665-02
tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate
M+NH41014.34Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
11CCMSLIB00000845022GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00169946-02
2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
M+NH4248.15Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
12CCMSLIB00000845023GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385670-01
N-(10-hydroxy-10-methylundecyl)acetamide
M+H244.23Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
13CCMSLIB00000845024GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385670-01
N-(10-hydroxy-10-methylundecyl)acetamide
M-H2O+H226.22Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
14CCMSLIB00000845025GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385670-01
N-(10-hydroxy-10-methylundecyl)acetamide
M+Na266.21Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
15CCMSLIB00000845026GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385642-01
1,4-dihydroxyheptadec-16-en-2-yl acetate
M+H329.27Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
16CCMSLIB00000845027GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385642-01
1,4-dihydroxyheptadec-16-en-2-yl acetate
M-H2O+H311.26Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
17CCMSLIB00000845028GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385642-01
1,4-dihydroxyheptadec-16-en-2-yl acetate
M+NH4346.30Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
18CCMSLIB00000845029GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385669-01
(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid
M+H393.23Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
19CCMSLIB00000845030GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385669-01
(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid
M-H2O+H375.22Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
20CCMSLIB00000845031GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385669-01
(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid
M+NH4410.25Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
21CCMSLIB00000845032GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385669-01
(E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid
M+Na415.21Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
22CCMSLIB00000845033GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385656-01
9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
M+H485.25Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
23CCMSLIB00000845034GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385656-01
9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
M+NH4502.28Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
24CCMSLIB00000845035GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00385650-01
[(2R,3R,4R,5R,6S)-5-hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
M+NH4806.14Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
25CCMSLIB00000845036GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00384874-01
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one
M+H229.11Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
26CCMSLIB00000845037GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00384874-01
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one
M+NH4246.13Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
27CCMSLIB00000845038GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00180216-02
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
M+H329.14Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
28CCMSLIB00000845039GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00384883-01
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
M+H471.24Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
29CCMSLIB00000845040GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00384883-01
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
M+Na493.23Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0
30CCMSLIB00000845041GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
NCGC00384882-01
(2R)-2-[(E)-3-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-5-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
M+H717.14Maxis II HD Q-TOF BrukerJadhav/Dorrestein1mwang872017-01-30 15:16:07.0