MassBank Record: PN000040

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Genistein 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: PN000040
RECORD_TITLE: Genistein C-glucoside malonylated; ESI-TOF; MS2; CE:15 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$NAME: Genistein C-glucoside malonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C24H22O13
CH$EXACT_MASS: 518.106040763999999398947693407535552978515625
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$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9268-1004.95
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.018
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 279.368

MS$FOCUSED_ION: BASE_PEAK 519.109
MS$FOCUSED_ION: PRECURSOR_M/Z 519.118
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-014j-0008290000-54f4620af42519ec0167
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  273.0746 7 7
  283.0597 23 23
  295.0627 20 20
  313.0706 71 71
  314.0762 7 7
  337.0687 12 12
  349.0751 17 17
  351.0904 37 37
  361.0732 12 12
  367.0846 165 165
  368.0806 36 36
  369.0932 16 16
  379.0822 196 196
  380.0885 41 41
  381.0894 7 7
  397.0941 696 696
  398.0981 89 89
  399.1009 21 21
  415.1046 61 61
  416.1114 13 13
  423.0729 19 19
  433.1139 13 13
  439.1057 40 40
  440.1206 9 9
  453.0742 7 7
  457.1156 110 110
  458.1199 27 27
  459.1141 7 7
  475.1278 47 47
  476.1295 11 11
  483.1006 21 21
  484.1057 7 7
  501.1047 285 285
  502.1094 61 61
  503.1218 12 12
  519.1148 999 999
  520.1192 149 149
  521.1199 42 42
//