MassBank Record: JP002076



 2-(3,4-DIMETHOXYPHENYL)ETHYL 4-O-(DI-O-METHYLCAFFEOYL)-1BETA-(D)-GLUCOPYRANOSIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002076
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL 4-O-(DI-O-METHYLCAFFEOYL)-1BETA-(D)-GLUCOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL 4-O-(DI-O-METHYLCAFFEOYL)-1BETA-(D)-GLUCOPYRANOSIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H34O11 CH$EXACT_MASS: 534.21011 CH$SMILES: O(C2OCCc(c3)cc(OC)c(OC)c3)C(C(C(C2O)O)OC(=O)C=Cc(c1)cc(OC)c(OC)c1)CO CH$IUPAC: InChI=1S/C27H34O11/c1-32-18-8-5-16(13-20(18)34-3)7-10-23(29)38-26-22(15-28)37-27(25(31)24(26)30)36-12-11-17-6-9-19(33-2)21(14-17)35-4/h5-10,13-14,22,24-28,30-31H,11-12,15H2,1-4H3/b10-7+
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03xr-0900010000-9fd5c7e0973827f0152c PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 18 1.4 14 28 3.5 35 38 6.1 61 43 0.26 3 45 0.9 9 55 0.9 9 57 1.8 18 60 0.26 3 61 0.9 9 69 1.8 18 71 1.8 18 73 0.26 3 77 0.9 9 81 0.9 9 85 2.6 26 87 0.09 1 91 1.8 18 99 0.9 9 103 0.9 9 105 0.18 2 107 0.9 9 120 0.9 9 121 2.6 26 133 0.18 2 134 0.9 9 135 1.8 18 137 1.8 18 138 0.53 5 145 0.9 9 147 1.8 18 149 1.8 18 150 0.35 4 151 23.7 237 152 3.5 35 161 0.9 9 163 0.09 1 164 99.99 999 165 59.7 597 166 12.3 123 167 0.18 2 177 1.8 18 182 2.6 26 191 45.6 456 192 0.79 8 193 5.3 53 194 0.9 9 195 0.9 9 208 1.93 19 209 5.3 53 210 5.3 53 267 0.9 9 326 0.18 2 344 3.5 35 353 1.8 18 370 5.3 53 371 0.09 1 534 22.8 228 535 7.9 79 536 1.8 18 //