MassBank Record: PN000034

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Genistein C,O-diglucoside malonylated; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000034
RECORD_TITLE: Genistein C,O-diglucoside malonylated; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.03.19
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: Genistein C,O-diglucoside malonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C30H32O18
CH$EXACT_MASS: 680.1588641839999809235450811684131622314453125
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7409-1204.75
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.022
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 239.927

MS$FOCUSED_ION: BASE_PEAK 431.103
MS$FOCUSED_ION: PRECURSOR_M/Z 679.154
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-001i-0000942000-ac12e2af5b31a7bffe70
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  311.0562 27 27
  312.0659 6 6
  341.0674 4 4
  353.0622 4 4
  413.0891 5 5
  431.1012 999 999
  432.1041 168 168
  433.1091 25 25
  434.1158 4 4
  473.1128 29 29
  474.1199 5 5
  515.1227 456 456
  516.1252 94 94
  517.1332 15 15
  518.1279 2 2
  545.1293 5 5
  635.1641 293 293
  636.1668 73 73
  637.1719 20 20
  638.1694 3 3
//