MassBank Record: PN000076

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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: PN000076
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 0.023
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 343.618

MS$FOCUSED_ION: BASE_PEAK 665.176
MS$FOCUSED_ION: PRECURSOR_M/Z 709.433
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-014j-0050009000-ebe8c87a8b7a2b13eace
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  284.0302 12 12
  285.0363 9 9
  299.0535 875 875
  300.0587 98 98
  301.0604 20 20
  485.1104 19 19
  503.1196 33 33
  605.1577 37 37
  606.1701 10 10
  623.1658 132 132
  624.1736 39 39
  625.1661 10 10
  665.1756 999 999
  666.1758 228 228
  667.1847 54 54
  668.1794 15 15
//