MassBank Record: PN000098



 Biochanin A glucosylglucoside dimalonylated; ESI-TOF; MS2; CE:25 eV; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: PN000098
RECORD_TITLE: Biochanin A glucosylglucoside dimalonylated; 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$NAME: Biochanin A glucosylglucoside dimalonylated CH$COMPOUND_CLASS: Natural Product; isoflavone CH$FORMULA: C34H36O21 CH$EXACT_MASS: 780.174908172 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$MASS_SPECTROMETRY: PEAK_WIDTH 0.025 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200 AC$CHROMATOGRAPHY: RETENTION_TIME 427.986 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 779.508 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: BASE_PEAK 283.061 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-001i-0090003000-40457d7c9b74ff8f7ea3 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 283.061 999 999 284.065 95 95 285.071 16 16 325.072 11 11 469.117 9 9 487.125 36 36 488.131 7 7 531.151 6 6 571.138 7 7 589.159 26 26 590.154 9 9 607.170 33 33 608.177 12 12 631.172 14 14 632.178 6 6 649.177 164 164 650.185 44 44 651.197 20 20 691.190 34 34 692.196 8 8 693.201 60 60 694.211 14 14 //