MassBank Record: PN000024

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2'-Hydroxygenistein C-glucoside malonylated; ESI-TOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PN000024
RECORD_TITLE: 2'-Hydroxygenistein C-glucoside malonylated; 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$NAME: 2'-Hydroxygenistein C-glucoside malonylated
CH$NAME: 2'Hydroxygenistein C-glucoside malonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C24H22O14
CH$EXACT_MASS: 534.1009553839999
CH$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: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.019
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.926-1004.93
AC$CHROMATOGRAPHY: RETENTION_TIME 243.15 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 535.103
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 535.098
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-000i-0001490000-dfb5d5ad36235a06af38
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  299.0516 36 36
  329.0687 75 75
  367.0825 41 41
  383.0763 118 118
  395.0787 120 120
  413.0833 364 364
  414.0909 105 105
  431.0931 36 36
  439.0607 40 40
  455.0894 30 30
  473.1002 87 87
  474.1027 42 42
  491.1124 28 28
  517.0952 295 295
  518.0959 57 57
  535.1041 999 999
  536.1086 193 193
  537.1050 57 57
//