MassBank Record: PN000028

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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: PN000028
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 44.9254-1004.93
AC$CHROMATOGRAPHY: RETENTION_TIME 260.12 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 535.112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 535.102
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-000i-0006690000-e0f5101ae9a00417e8b2
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  287.0559 27 27
  299.0583 42 42
  311.0572 103 103
  312.0616 20 20
  329.0679 388 388
  330.0702 55 55
  353.0684 212 212
  354.0726 42 42
  359.0764 61 61
  360.0839 17 17
  367.0881 31 31
  371.0817 20 20
  377.0685 88 88
  378.0690 18 18
  383.0781 13 13
  395.0796 229 229
  396.0850 38 38
  397.0847 10 10
  413.0926 114 114
  414.0928 24 24
  431.1023 85 85
  432.1059 20 20
  437.0895 14 14
  449.1136 62 62
  450.1106 17 17
  455.1028 319 319
  456.1083 62 62
  457.1046 18 18
  473.1132 226 226
  474.1143 63 63
  475.1178 14 14
  481.0918 22 22
  491.1244 89 89
  492.1274 22 22
  499.0917 191 191
  500.0969 52 52
  517.0995 413 413
  518.1088 78 78
  519.1080 30 30
  535.1132 999 999
  536.1174 174 174
  537.1185 56 56
//