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MassBank Record: PN000069

Apigenin C-glucoside malonylated; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000069
RECORD_TITLE: Apigenin C-glucoside 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$NAME: Apigenin C-glucoside malonylated
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C24H22O13
CH$EXACT_MASS: 518.106040764
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$CHROMATOGRAPHY: RETENTION_TIME 293.593 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 517.086
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: BASE_PEAK 311.045
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-03di-0009700000-075c8f500502251e41db
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  269.037 17 17
  281.035 9 9
  282.041 7 7
  283.053 92 92
  284.057 15 15
  293.032 10 10
  311.045 999 999
  312.049 141 141
  313.053 23 23
  323.047 26 26
  324.046 8 8
  341.057 121 121
  342.058 22 22
  353.058 17 17
  377.056 17 17
  395.063 6 6
  413.078 876 876
  414.083 175 175
  415.087 23 23
  431.092 18 18
  473.100 85 85
  474.105 20 20
//

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