MassBank Record: MSBNK-IPB_Halle-PN000026
ACCESSION: MSBNK-IPB_Halle-PN000026
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 0.018
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9266-1004.95
AC$CHROMATOGRAPHY: RETENTION_TIME 270.066 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 535.109
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 535.109
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-000i-0007690000-eb1bfba6245a82f474ad
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
299.0547 83 83
311.0563 153 153
329.0668 450 450
330.0737 79 79
353.0658 283 283
354.0706 64 64
359.0781 64 64
367.0808 60 60
377.0677 100 100
395.0787 331 331
396.0819 79 79
413.0954 112 112
431.1101 94 94
449.1039 85 85
455.1005 337 337
456.1079 135 135
473.1165 329 329
474.1126 68 68
491.1234 119 119
499.0899 226 226
500.0932 56 56
517.1006 527 527
518.1075 102 102
519.0972 49 49
535.1113 999 999
536.1124 275 275
537.1390 79 79
//
system version 2.2.6-SNAPSHOT