MassBank Record: PN000041

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Genistein 4',7-O-diglucoside dimalonylated; ESI-TOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PN000041
RECORD_TITLE: Genistein 4',7-O-diglucoside dimalonylated; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.18
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: Genistein 4',7-O-diglucoside dimalonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C33H34O21
CH$EXACT_MASS: 766.15925810799990358646027743816375732421875
CH$SMILES: N/A
CH$IUPAC: N/A

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.019
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 338.389

MS$FOCUSED_ION: BASE_PEAK 767.172
MS$FOCUSED_ION: PRECURSOR_M/Z 767.164
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-01b9-0050210900-ac474663bad156a6737e
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  271.0586 837 837
  461.2671 415 415
  519.1266 201 201
  767.1721 999 999
  768.1696 264 264
//