MassBank Record: MSBNK-IPB_Halle-PN000034
ACCESSION: MSBNK-IPB_Halle-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: 680.158864184
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$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.022
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7409-1204.75
AC$CHROMATOGRAPHY: RETENTION_TIME 239.927 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 679.154
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 431.103
MS$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
//
system version 2.2.6-SNAPSHOT