MassBank Record: PN000079

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Chrysoeriol O-glucosylglucoside malonylated; ESI-TOF; MS2; CE:15 eV; [M+H]+

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

ACCESSION: PN000079
RECORD_TITLE: Chrysoeriol O-glucosylglucoside 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$NAME: Chrysoeriol O-glucosylglucoside malonylated
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C31H34O19
CH$EXACT_MASS: 710.1694288679999544910970143973827362060546875
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$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.019
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 338.873

MS$FOCUSED_ION: BASE_PEAK 301.072
MS$FOCUSED_ION: PRECURSOR_M/Z 711.436
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0w29-0009030500-15419ad1615e0bafe68b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  301.0715 999 999
  302.0731 87 87
  549.1271 309 309
  550.1214 83 83
  555.0970 70 70
  625.1744 47 47
  711.1729 457 457
  712.1760 149 149
  713.1821 45 45
//