MassBank Record: PN000049

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Chrysoeriol 8-C-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: PN000049
RECORD_TITLE: Chrysoeriol 8-C-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$NAME: Chrysoeriol 8-C-glucoside malonylated
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C25H25O14
CH$EXACT_MASS: 549.124430480000000898144207894802093505859375
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$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.9266-1004.94
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.018
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 312.636

MS$FOCUSED_ION: BASE_PEAK 549.116
MS$FOCUSED_ION: PRECURSOR_M/Z 549.127
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-0002-0003490000-f809bea7a9bed1745fe2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  313.0685 17 17
  325.0721 59 59
  343.0831 292 292
  344.0860 66 66
  355.0774 14 14
  367.0825 203 203
  368.0888 33 33
  373.0963 71 71
  381.1048 29 29
  391.0830 49 49
  409.0902 152 152
  410.0976 32 32
  427.1022 78 78
  428.1083 14 14
  445.1190 67 67
  463.1208 49 49
  469.1146 275 275
  470.1201 50 50
  487.1297 179 179
  488.1286 48 48
  489.1241 20 20
  495.0997 16 16
  505.1336 118 118
  506.1462 16 16
  513.1096 153 153
  514.1100 33 33
  531.1113 275 275
  532.1183 82 82
  533.1229 16 16
  549.1269 999 999
  550.1274 209 209
  551.1304 40 40
//