MassBank Record: PN000032

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Genistein 4',7-O-diglucoside malonylated; ESI-TOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PN000032
RECORD_TITLE: Genistein 4',7-O-diglucoside 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$NAME: Genistein 4',7-O-diglucoside malonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C30H32O18
CH$EXACT_MASS: 680.1588641839999809235450811684131622314453125
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$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9261-1004.93
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.019
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 236.213

MS$FOCUSED_ION: BASE_PEAK 433.108
MS$FOCUSED_ION: PRECURSOR_M/Z 681.174
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-001i-0040922000-fdd8b8e2feddb30a92b5
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  271.0625 589 589
  272.0700 81 81
  433.1173 999 999
  434.1201 258 258
  435.1039 66 66
  519.1165 288 288
  520.1188 63 63
  681.1680 272 272
  682.1637 121 121
//