MassBank Record: PN000077

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Chrysoeriol O-glucosylglucoside malonylated; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000077
RECORD_TITLE: Chrysoeriol O-glucosylglucoside 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$NAME: Chrysoeriol O-glucosylglucoside malonylated
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C31H34O19
CH$EXACT_MASS: 710.1694288680000681779347360134124755859375
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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.022
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 320.658

MS$FOCUSED_ION: BASE_PEAK 299.054
MS$FOCUSED_ION: PRECURSOR_M/Z 709.162
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-00dj-0030009000-ed93d1c31c1ebaa94eff
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  299.0544 999 999
  300.0611 111 111
  605.1547 476 476
  606.1581 125 125
  607.1591 39 39
  623.1639 991 991
  624.1697 271 271
  625.1677 71 71
  665.1768 180 180
  666.1799 58 58
  667.1779 42 42
//