MassBank Record: PN000128



 Vitexin; ESI-TOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

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$NAME: Vitexin CH$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 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$MASS_SPECTROMETRY: PEAK_WIDTH 0.02 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000 AC$CHROMATOGRAPHY: RETENTION_TIME 242.918 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 433.113 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: BASE_PEAK 397.092 MS$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 //