ACCESSION: MSBNK-RIKEN_ReSpect-PS085003
RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; 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, 90.
COMMENT: PRIMe compound in-house ID S0292
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$NAME: 4'-Methylnaringenin
CH$NAME: Issk
CH$NAME: 4'-Methoxy-5,7-dihydroxyflavonone
CH$NAME: 5,7-Dihydroxy-4'-methoxyflavanone
CH$NAME: Isosakuranetin
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavanone CLASS3 Isosakuranetin
CH$FORMULA: C₁₆H₁₄O₅
CH$EXACT_MASS: 286.283
CH$SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O
CH$IUPAC: InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3
CH$LINK: CAS 480-43-3
CH$LINK: KEGG C05334
CH$LINK: PUBCHEM CID:160481
CH$LINK: INCHIKEY HMUJXQRRKBLVOO-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 287.28

PK$SPLASH: splash10-0w29-0920000000-a6201b219da74be69430
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  133.0 11808.0 67
  137.0 5712.0 33
  152.0 33920.0 193
  153.0 175542.0 999
  160.0 19822.0 113
  161.0 115497.0 657
  286.0 35398.0 201
  287.0 49120.0 280
//