MassBank Record: JP002080



 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-6-O-(DI-O-METHYLCAFFEOYL)-BETA-(D)-GLUCOPYRANOSIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002080
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-6-O-(DI-O-METHYLCAFFEOYL)-BETA-(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$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-6-O-(DI-O-METHYLCAFFEOYL)-BETA-(D)-GLUCOPYRANOSIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C33H44O15 CH$EXACT_MASS: 680.26802 CH$SMILES: O(C(C2O)OC(COC(C(=C(c(c4)cc(c(OC)c4)OC)[H])[H])=O)C(C2OC(O3)C(O)C(O)C(O)C(C)3)O)CCc(c1)cc(c(OC)c1)OC CH$IUPAC: InChI=1S/C33H44O15/c1-17-26(35)28(37)29(38)33(46-17)48-31-27(36)24(16-45-25(34)11-8-18-6-9-20(40-2)22(14-18)42-4)47-32(30(31)39)44-13-12-19-7-10-21(41-3)23(15-19)43-5/h6-11,14-15,17,24,26-33,35-39H,12-13,16H2,1-5H3/b11-8+
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-02tc-2900000000-fb1c83c92f120e4537ef PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 18 6.9 69 27 2.9 29 28 8.8 88 29 0.49 5 31 3.9 39 39 2 20 41 4.9 49 42 0.29 3 43 9.8 98 45 6.9 69 49 2 20 55 0.39 4 56 2.9 29 57 7.8 78 58 4.9 49 59 0.29 3 60 5.9 59 61 2 20 69 3.9 39 70 0.2 2 71 7.8 78 72 1 10 73 7.8 78 74 0.29 3 75 3.9 39 77 2.9 29 81 2 20 83 0.2 2 85 8.8 88 91 3.9 39 97 1 10 99 0.2 2 103 3.9 39 104 2 20 105 4.9 49 106 0.1 1 107 2.9 29 108 1 10 109 2 20 121 0.29 3 129 3.9 39 133 2.9 29 134 2 20 135 0.29 3 137 2 20 138 8.8 88 139 2 20 145 0.2 2 147 3.9 39 148 2.9 29 149 4.9 49 150 0.88 9 151 41.2 412 152 5.9 59 161 2.9 29 163 0.59 6 164 99.99 999 165 92.2 922 166 22.6 226 167 0.39 4 177 2 20 180 2 20 182 6.9 69 183 0.29 3 191 77.5 775 192 14.7 147 193 7.8 78 194 0.2 2 208 28.4 284 209 11.8 118 210 5.9 59 249 0.1 1 250 1 10 307 1 10 335 1 10 352 0.1 1 353 2.9 29 354 1 10 369 1 10 370 0.88 9 371 2 20 372 1 10 381 1 10 398 0.1 1 490 1 10 516 2 20 534 17.6 176 535 0.78 8 536 2 20 562 1 10 680 4.9 49 681 2 20 //