MassBank Record: PR100370



 Vitexin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100370
RECORD_TITLE: Vitexin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Vitexin CH$NAME: Vitx CH$NAME: apigenin-8-C-glucoside CH$NAME: 8-beta-D-Glucopyranosyl-apigenin CH$NAME: Orientoside CH$COMPOUND_CLASS: Carbohydrate CH$FORMULA: C21H20O10 CH$EXACT_MASS: 432.10565 CH$SMILES: OC[C@H]([C@@H](O)4)O[C@H]([C@H](O)[C@@H](O)4)c(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)ccc(O)c2)1 CH$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: CHEMSPIDER 4444098 CH$LINK: KEGG C01460 CH$LINK: KNAPSACK C00001110 CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 433.11344 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0189600000-fd0b1e9721d23e12d4c6 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 121.0309 406.1 218 255.0691 266.1 143 256.0766 224.9 121 283.0638 1290 692 284.0718 790.3 424 295.0643 303 163 297.0795 401.7 216 313.0744 1614 866 323.0946 368.2 198 337.0747 361.5 194 367.0856 300.7 161 379.0859 225.4 121 397.0957 589.2 316 415.1061 632 339 433.1134 1861 999 //