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MassBank Record: PS085705

Naringenin, 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringetol, pelargidanon, Salipurol, Asahina, 4',5,7-trihydroxyflavanone, Nari; LC-ESI-QQ; MS2

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

ACCESSION: PS085705
RECORD_TITLE: Naringenin, 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringetol, pelargidanon, Salipurol, Asahina, 4',5,7-trihydroxyflavanone, Nari; 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, 89.
COMMENT: PRIMe compound in-house ID S0300
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$NAME: Naringenin
CH$NAME: 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CH$NAME: naringetol
CH$NAME: pelargidanon
CH$NAME: Salipurol
CH$NAME: Asahina
CH$NAME: 4',5,7-trihydroxyflavanone
CH$NAME: Nari
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Chalcone CLASS3 Naringenin
CH$FORMULA: C15H12O5
CH$EXACT_MASS: 272.256
CH$SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
CH$IUPAC: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
CH$LINK: CAS 480-41-1
CH$LINK: KEGG C00509
CH$LINK: PUBCHEM CID:439246
CH$LINK: INCHIKEY FTVWIRXFELQLPI-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 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 273.27

PK$SPLASH: splash10-0udi-2900000000-506c44873004ca766510
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.0 5035.0 91
  67.0 3702.0 67
  68.0 3729.0 68
  69.0 7029.0 127
  90.0 3369.0 61
  91.0 9450.0 171
  118.0 3196.0 58
  119.0 14209.0 257
  123.0 2291.0 42
  146.0 5305.0 96
  147.0 10836.0 196
  151.0 4382.0 79
  152.0 24030.0 435
  153.0 55145.0 999
  154.0 1755.0 32
  272.0 2037.0 37
  273.0 3348.0 61
//

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