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MassBank Record: PN000068

Apigenin 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: PN000068
RECORD_TITLE: Apigenin 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$NAME: Apigenin C-glucoside malonylated
CH$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 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$CHROMATOGRAPHY: RETENTION_TIME 287.143 sec
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um

MS$FOCUSED_ION: PRECURSOR_M/Z 519.117
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: BASE_PEAK 519.116
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-014i-0017890000-7c1f3d99d310f3dc90e5
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  271.0614 20 20
  283.0610 45 45
  295.0607 124 124
  296.0630 23 23
  313.0714 510 510
  314.0750 60 60
  315.0803 8 8
  337.0714 81 81
  338.0727 13 13
  343.0849 19 19
  351.0875 26 26
  355.0801 12 12
  361.0741 73 73
  362.0788 17 17
  367.0763 16 16
  379.0818 267 267
  380.0867 50 50
  397.0930 183 183
  398.0985 25 25
  415.1045 128 128
  416.1078 25 25
  421.0887 15 15
  433.1135 91 91
  434.1191 14 14
  439.1042 407 407
  440.1106 73 73
  441.1101 18 18
  457.1167 270 270
  458.1214 63 63
  459.1139 10 10
  465.0860 25 25
  466.0934 13 13
  475.1271 107 107
  476.1330 12 12
  483.0984 198 198
  484.1037 49 49
  485.1017 10 10
  501.1051 394 394
  502.1089 85 85
  503.1107 19 19
  519.1160 999 999
  520.1219 162 162
  521.1200 46 46
//

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