MassBank Record: PN000053

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Genistein C,O-diglucoside; ESI-TOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PN000053
RECORD_TITLE: Genistein C,O-diglucoside; 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$NAME: Genistein C,O-diglucoside
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C27H30O15
CH$EXACT_MASS: 594.1584702599999445737921632826328277587890625
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 0.018
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 142.34

MS$FOCUSED_ION: BASE_PEAK 433.112
MS$FOCUSED_ION: PRECURSOR_M/Z 595.168
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-001j-0000940000-496d9c8bd181a0b53e0e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  271.0620 44 44
  397.0917 105 105
  398.0958 29 29
  415.1033 357 357
  416.1068 65 65
  433.1124 999 999
  434.1172 165 165
  435.1210 35 35
  595.1671 705 705
  596.1685 144 144
  597.1751 42 42
//