MassBank Record: PN000127



 Vitexin; ESI-TOF; MS2; CE:25 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

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$NAME: Vitexin CH$NAME: Apigenin-8-C-glucoside CH$COMPOUND_CLASS: Natural Product; flavone CH$FORMULA: C21H20O10 CH$EXACT_MASS: 432.10564683999996 CH$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: PUBCHEM CID:5280441 CH$LINK: CAS 3681-93-4 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: ESI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: COLLISION_GAS argon AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.025 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200 AC$CHROMATOGRAPHY: RETENTION_TIME 241.981 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 431.092 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: BASE_PEAK 311.052 MS$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 //