MassBank Record: PB006222



 Vitexin-2''-O-rhamnoside; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006222
RECORD_TITLE: Vitexin-2''-O-rhamnoside; LC-ESI-QTOF; MS2; CE:15 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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-003r-0000980000-5b92bd4d2904a60b6ee5 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 271.058 350.350 34 272.061 30.030 2 283.057 70.070 6 295.057 90.090 8 296.062 10.010 0 313.068 650.651 64 314.071 80.080 7 337.066 110.110 10 338.068 10.010 0 343.078 20.020 1 355.081 10.010 0 367.079 80.080 7 368.079 10.010 0 379.078 50.050 4 397.088 210.210 20 398.092 20.020 1 415.099 770.771 76 416.101 110.110 10 417.110 10.010 0 432.736 10.010 0 433.109 10000.000 999 433.453 10.010 0 433.675 10.010 0 433.802 10.010 0 434.112 1551.552 154 435.115 70.070 6 441.114 10.010 0 459.125 90.090 8 460.128 10.010 0 475.116 10.010 0 517.128 20.020 1 561.158 30.030 2 578.734 10.010 0 579.165 9859.859 984 579.589 10.010 0 579.714 10.010 0 579.810 10.010 0 580.168 2172.172 216 581.172 110.110 10 //