MassBank MassBank Search Contents Download

MassBank Record: MSBNK-RIKEN_ReSpect-PS041310

Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PS041310
RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound EXTRASYNTHESE S.A, 1004 S.
COMMENT: PRIMe compound in-house ID H0021
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Cossmetin
CH$NAME: Apig-7-Glc
CH$NAME: apigenin-7-O-glucoside
CH$NAME: Apigenin 7-O-beta-D-glucopyranoside
CH$NAME: Cosmosiine
CH$NAME: Cosmosioside
CH$NAME: Apigetrin
CH$NAME: 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one
CH$NAME: 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavone CLASS3 Apigenin glycoside
CH$FORMULA: C21H20O10
CH$EXACT_MASS: 432.381
CH$SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
CH$IUPAC: InChI=1S/C21H20O10/c22-8-16-18(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/h1-7,16,18-24,26-28H,8H2
CH$LINK: CAS 578-74-5
CH$LINK: KEGG C04608
CH$LINK: PUBCHEM CID:5280704
CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 431.4

PK$SPLASH: splash10-0159-0090700000-1295f2e70fcf25c150bd
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  267.0 11970.0 193
  268.0 61917.0 999
  269.0 17237.0 278
  429.0 6913.0 112
  430.0 20511.0 331
  431.0 41829.0 675
  432.0 8792.0 142
//

Imprint Feedback
system version 2.2.5

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Hannes Bohring

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo