ACCESSION: MSBNK-RIKEN_ReSpect-PS039304
RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; 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, 1102 S.
COMMENT: PRIMe compound in-house ID H0001
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$NAME: Apigenol
CH$NAME: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone
CH$NAME: 4',5,7-trihydroxyflavone
CH$NAME: Apigenin
CH$NAME: Naringenin Chalcone
CH$NAME: Chamomile
CH$NAME: Apig
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavone CLASS3 Apigenin
CH$FORMULA: C₁₅H₁₀O₅
CH$EXACT_MASS: 270.24
CH$SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
CH$LINK: CAS 520-36-5
CH$LINK: KEGG C01477
CH$LINK: PUBCHEM CID:5280443
CH$LINK: INCHIKEY KZNIFHPLKGYRTM-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 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 271.27

PK$SPLASH: splash10-00di-0290000000-becd165a7e42cf4677ca
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  110.0 2230.0 38
  119.0 9073.0 156
  121.0 1929.0 33
  152.0 2654.0 46
  153.0 9648.0 166
  163.0 1910.0 33
  264.0 1834.0 31
  267.0 4625.0 79
  269.0 12173.0 209
  270.0 31169.0 535
  271.0 58225.0 999
  272.0 2156.0 37
//