MassBank Record: PN000078

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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: PN000078
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: 710.1694288680000681779347360134124755859375
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 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 0.021
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 312.718

MS$FOCUSED_ION: BASE_PEAK 301.07
MS$FOCUSED_ION: PRECURSOR_M/Z 711.471
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0udi-0009000100-4e77d6fae165d4759276
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  301.0703 999 999
  302.0731 88 88
  303.0750 16 16
  463.1225 66 66
  464.1294 18 18
  625.1698 11 11
  711.1724 184 184
  712.1799 40 40
  713.1765 14 14
//