MassBank Record: PR100371



 Vitexin-2''-O-rhamnoside; 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: PR100371
RECORD_TITLE: Vitexin-2''-O-rhamnoside; 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$NAME: Vitexin-2''-O-rhamnoside CH$NAME: Vitx-2pp-Rha CH$NAME: 2-O-Rhamnosylvitexin CH$NAME: Apigenin-8-C-glucoside-2'-rhamnoside CH$NAME: Vitexin-4'-Rhamnoside CH$COMPOUND_CLASS: Flavonoid CH$FORMULA: C27H30O14 CH$EXACT_MASS: 578.16356 CH$SMILES: [C@H](O1)([C@@H]([C@H]([C@H]([C@@H]1O[C@H]([C@H]5O)[C@@H](O[C@@H]([C@H]5O)CO)c(c2O)c(O3)c(C(C=C(c(c4)ccc(O)c4)3)=O)c(c2)O)O)O)O)C CH$IUPAC: InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1 CH$LINK: CAS 64820-99-1 CH$LINK: CHEMSPIDER 4445348 CH$LINK: KEGG C12628 CH$LINK: KNAPSACK C00006217 CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-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$FOCUSED_ION: PRECURSOR_M/Z 579.17135 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01si-0049760000-d5e095fb946124b595a6 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 283.0629 941 526 284.0703 400.6 224 313.0735 1632 913 337.0731 424.8 238 397.0945 570.8 319 415.1050 673.4 377 433.1147 1599 894 579.1713 1786 999 //