Zheng Shuning S - OmicsDI

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Metabolomics (1)

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MetaboLights (1)

Technology Type

Mass spectrometry (1)

Instrument Platform

Liquid Chromatography MS - Negative (LC-MS (Negative)) (1)
Liquid Chromatography MS - Positive (LC-MS (Positive)) (1)

Publication Date

2018 (1)

CHEBI ID

CHEBI:139429 (1)
CHEBI:139434 (1)
CHEBI:139451 (1)
CHEBI:139435 (1)
CHEBI:139448 (1)
CHEBI:139460 (1)
CHEBI:139442 (1)
CHEBI:139410 (1)
CHEBI:139428 (1)
CHEBI:139404 (1)
CHEBI:139422 (1)
CHEBI:139425 (1)
CHEBI:139440 (1)
CHEBI:139432 (1)
CHEBI:139450 (1)
CHEBI:139439 (1)
CHEBI:139456 (1)
CHEBI:94167 (1)
CHEBI:139407 (1)
CHEBI:139423 (1)
CHEBI:139459 (1)
CHEBI:139403 (1)
CHEBI:139437 (1)
CHEBI:139405 (1)
CHEBI:139414 (1)
CHEBI:139470 (1)
CHEBI:139402 (1)
CHEBI:139433 (1)
CHEBI:139409 (1)
CHEBI:139454 (1)

Metabolite Name

4-O-trans-caffeoylquinic acid (1)
2-hydroxy-2-(4-hydroxybenzyl)succinic acid (1)
(3R,5R)-3,4,5-tris{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxycyclohexane-1-carboxylic acid (1)
3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3,5-bis(2S,3R,4R,5S,6R)[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one (1)
(1S,3S,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid (1)
(3E)-1-hydroxy-4-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl beta-D-glucopyranoside (1)
(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]acrylic acid (1)
(2E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)acrylamide (1)
(3R)-3,7-dimethyl-1,6-octadien-3-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside (1)
{2-[5-(hexopyranosyloxy)pent-2-en-1-yl]-3-oxocyclopentyl}acetic acid (1)
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside (1)
8-[6-(3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (1)
Kaempferol 3-O-beta-D-galactoside (1)
Kaempferol 3-O-beta-D-glucoside (1)
2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-4-yl hexopyranoside (1)
5-{4-[4-(hexopyranosyloxy)-3,5-dimethoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside (1)
[4-(4-hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl hexopyranoside (1)
4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranoside (1)
(3E)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl beta-D-glucopyranoside (1)
Dehydroabietic acid (1)
Trans-5-O-(4-coumaroyl)-D-quinic acid (1)
4-{(1S,3aR,4S,6aR)-4-[4-(hexopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside (1)
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl hexopyranoside (1)
Nicotiflorin (1)
Kaempferol-3-glucoside-3''-rhamnoside (1)
(+)-syringaresinol beta-D-glucoside (1)
Sibiricose A1 (1)
Keioside (1)
Gaultherin (1)
Sinapoyl D-glucoside (1)

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The WEIZMASS spectral library for high-confidence metabolite identification

Annotation of metabolites is an essential, yet problematic, aspect of mass spectrometry (MS)-based metabolomics assays. The current repertoire of definitive annotations of metabolite spectra in public MS databases is limited and suffers from lack of chemical and taxonomic diversity. Furthermore, the...

2018-03-05 | MTBLS330 | MetaboLights

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