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MassBank Record: PN000084

Biochanin A 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: PN000084
RECORD_TITLE: Biochanin A 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$NAME: Biochanin A 8-C-glucoside malonylated
CH$COMPOUND_CLASS: Natural Product; isoflavone
CH$FORMULA: C25H24O13
CH$EXACT_MASS: 532.1216908279999
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: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.019
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000
AC$CHROMATOGRAPHY: RETENTION_TIME 356.652 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 533.134
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 533.133
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-001i-0007890000-c4f8b2104c393d3e2263
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  285.0754 27 27
  297.0771 46 46
  309.0767 153 153
  310.0783 27 27
  327.0897 462 462
  328.0914 87 87
  351.0877 230 230
  352.0941 52 52
  357.0975 72 72
  365.1019 44 44
  369.0985 29 29
  375.0871 95 95
  381.1007 23 23
  393.1021 233 233
  394.1078 62 62
  411.1123 144 144
  412.1096 40 40
  429.1234 112 112
  430.1237 39 39
  447.1289 76 76
  453.1212 380 380
  454.1248 79 79
  455.1227 25 25
  471.1352 361 361
  472.1382 90 90
  479.1085 33 33
  489.1461 139 139
  490.1461 32 32
  497.1098 184 184
  498.1157 52 52
  515.1238 426 426
  516.1268 111 111
  517.1367 26 26
  533.1334 999 999
  534.1382 289 289
  535.1410 101 101
  660.8069 25 25
//

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