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MassBank Record: MSBNK-RIKEN-PR040014

Eriodictyol; LC-ESI-QTOF; MS2; CE:30 eV; [2M-H]-

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

ACCESSION: MSBNK-RIKEN-PR040014
RECORD_TITLE: Eriodictyol; LC-ESI-QTOF; MS2; CE:30 eV; [2M-H]-
DATE: 2016.01.19 (Created 2007.10.17, modified 2011.05.06)
AUTHORS: Matsuda F, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 3',4',5,7-tetrahydroxyflavanone
CH$NAME: Eriodictyol
CH$NAME: Erid
CH$NAME: (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H12O6
CH$EXACT_MASS: 288.06339
CH$SMILES: Oc(c3)c(O)cc(c3)[C@H](C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
CH$IUPAC: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
CH$LINK: CAS 4049-38-1 552-58-9 552-016-4
CH$LINK: KEGG C05631
CH$LINK: PUBCHEM CID:440735
CH$LINK: INCHIKEY SBHXYTNGIZCORC-ZDUSSCGKSA-N
CH$LINK: COMPTOX DTXSID70877706

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 565
MS$FOCUSED_ION: ION_TYPE [2M-H]-
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-0udi-0910000000-85200d3bfe0ef9f8c6cf
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  107.0454 523 21
  125.0627 809 33
  135.0764 6247 256
  135.9263 927 38
  150.0796 740 30
  151.0350 24300 999
  151.8785 2985 122
  152.7494 861 35
  287.0719 7016 288
  287.9888 1286 52
  392.9957 486 19
//

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