ACCESSION: MSBNK-RIKEN_ReSpect-PS039903
RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; 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, 1038.
COMMENT: PRIMe compound in-house ID H0007
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$NAME: 4-Flavanone
CH$NAME: Flva
CH$NAME: 2,3-dihydroflavone
CH$NAME: 2-Phenylchromanone
CH$NAME: 2-Phenylchroman-4-one
CH$NAME: Flavanone
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavanone CLASS3 Flavanone
CH$FORMULA: C₁₅H₁₂O₂
CH$EXACT_MASS: 224.259
CH$SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
CH$LINK: CAS 487-26-3
CH$LINK: KEGG C00766
CH$LINK: PUBCHEM CID:10251
CH$LINK: INCHIKEY ZONYXWQDUYMKFB-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 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 225.24

PK$SPLASH: splash10-00di-0910000000-244b246a1f4e7b04de71
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  103.0 8670.0 104
  120.0 18111.0 217
  121.0 83313.0 999
  130.0 2778.0 33
  131.0 10295.0 123
  178.0 2795.0 34
  179.0 3496.0 42
  207.0 2673.0 32
  210.0 2874.0 34
  224.0 6154.0 74
  225.0 7982.0 96
//