MassBank Record: PN000064

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

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

ACCESSION: PN000064
RECORD_TITLE: Luteolin O-glucoside 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$NAME: Luteolin O-glucoside malonylated
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C24H22O14
CH$EXACT_MASS: 534.1009553840000307900481857359409332275390625
CH$SMILES: N/A
CH$IUPAC: N/A
CH$LINK: PUBCHEM CID:5319116

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 0.023
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 347.9

MS$FOCUSED_ION: BASE_PEAK 287.054
MS$FOCUSED_ION: PRECURSOR_M/Z 535.112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-000i-0090010000-c3cb846b854503d037e3
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  127.0441 3 3
  287.0544 999 999
  288.0581 108 108
  289.0616 15 15
  449.1083 13 13
  450.1135 3 3
  491.1232 5 5
  492.1277 3 3
  517.0998 3 3
  535.1100 189 189
  536.1120 34 34
  537.1191 9 9
//