MassBank Record: PN000127

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Vitexin; ESI-TOF; MS2; CE:25 eV; [M-H]-

Mass Spectrum
Chemical Structure
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ACCESSION: PN000127
RECORD_TITLE: Vitexin; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.12.12
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.025
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 241.981

MS$FOCUSED_ION: BASE_PEAK 311.052
MS$FOCUSED_ION: PRECURSOR_M/Z 431.092
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-03di-0049000000-c23b79d9b1d089be7f57
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  117.036 14 14
  149.025 12 12
  161.025 12 12
  163.037 12 12
  191.035 12 12
  269.042 30 30
  281.041 22 22
  282.050 18 18
  283.060 484 484
  284.062 84 84
  285.063 12 12
  293.043 16 16
  311.052 999 999
  312.059 134 134
  313.060 22 22
  323.053 39 39
  341.065 63 63
//