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MassBank Record: MSBNK-RIKEN_ReSpect-PT103980

3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Erid, (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one, Eriodictyol; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT103980
RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Erid, (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one, Eriodictyol; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 3',4',5,7-tetrahydroxyflavanone
CH$NAME: Eriodictiol
CH$NAME: Erid
CH$NAME: (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one
CH$NAME: Eriodictyol
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavanone CLASS3 Eriodictyol
CH$FORMULA: C15H12O6
CH$EXACT_MASS: 288.255
CH$SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
CH$IUPAC: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
CH$LINK: CAS 552-58-9
CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 289.07119

PK$SPLASH: splash10-0f79-1930000000-1bd4ad63c015087fbdb2
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  68.9989 65.45 51
  89.0402 239.8 185
  117.0356 187.6 145
  123.046 67.17 52
  135.0459 181.5 140
  145.0307 191.2 148
  153.02 1294.0 999
  163.0411 693.7 536
  179.0362 78.81 61
  289.0712 985.2 761
//

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