MassBank Record: PN000128

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Vitexin; ESI-TOF; MS2; CE:15 eV; [M+H]+

Mass Spectrum
Chemical Structure
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ACCESSION: PN000128
RECORD_TITLE: Vitexin; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.12.10
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: standard

CH$NAME: apigenin-8-C-glucoside
CH$NAME: Vitexin
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C21H20O10
CH$EXACT_MASS: 432.105646839999963049194775521755218505859375
CH$SMILES: OCC1OC(C(O)C(O)C1(O))C=3C(O)=CC(O)=C2C(=O)C=C(OC2=3)C=4C=CC(O)=CC=4
CH$IUPAC: InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1
CH$LINK: CAS 3681-93-4
CH$LINK: COMPTOX DTXSID90190287
CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N
CH$LINK: PUBCHEM CID:5280441

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 0.02
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 242.918

MS$FOCUSED_ION: BASE_PEAK 397.092
MS$FOCUSED_ION: PRECURSOR_M/Z 433.113
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-00kb-0009400000-d99a3ff9b2c386994105
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  283.0588 124 124
  284.0612 22 22
  295.0606 29 29
  311.0594 14 14
  313.0703 450 450
  314.0735 68 68
  323.0906 25 25
  337.0692 60 60
  338.0733 21 21
  343.0782 52 52
  351.0896 62 62
  352.0824 14 14
  355.0786 29 29
  367.0796 245 245
  368.0849 54 54
  369.0963 15 15
  379.0808 233 233
  380.0870 45 45
  397.0923 999 999
  398.0965 167 167
  399.1020 34 34
  415.1028 695 695
  416.1046 126 126
  417.1095 24 24
  433.1135 307 307
  434.1152 54 54
  435.1176 18 18
//