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MassBank Record: PS041302

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: PS041302
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 433.39

PK$SPLASH: splash10-00di-0090200000-45544d47fb34d4924139
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  270.0 35973.0 95
  271.0 379979.0 999
  432.0 37892.0 100
  433.0 92075.0 242
//

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