MassBank Record: PB006223



 Vitexin-2''-O-rhamnoside; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006223
RECORD_TITLE: Vitexin-2''-O-rhamnoside; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.17, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2041
COMMENT: CONFIDENCE: confident structure

CH$NAME: Vitexin-2''-O-rhamnoside CH$NAME: 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C27H30O14 CH$EXACT_MASS: 578.16356 CH$SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O 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: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: PUBCHEM CID:5282151
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0001910000-9ce573975652a98d2369 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 271.057 270.270 26 272.060 30.030 2 283.057 150.150 14 284.063 20.020 1 295.057 170.170 16 296.062 10.010 0 311.050 10.010 0 313.068 1281.281 127 314.071 160.160 15 323.083 10.010 0 337.067 210.210 20 338.072 20.020 1 343.077 70.070 6 349.068 10.010 0 351.083 20.020 1 355.077 20.020 1 367.078 200.200 19 368.082 30.030 2 379.078 100.100 9 380.080 10.010 0 397.088 530.530 52 398.091 80.080 7 415.099 1551.552 154 416.101 230.230 22 417.108 20.020 1 432.755 10.010 0 432.855 10.010 0 433.109 10000.000 999 433.718 10.010 0 434.112 1601.602 159 435.114 80.080 7 459.124 80.080 7 460.127 10.010 0 561.155 10.010 0 579.165 1461.461 145 580.169 320.320 31 581.169 10.010 0 //