MassBank Record: JP002078



 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.6)-4-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: JP002078
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.6)-4-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$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.6)-4-O-(DI-O-METHYLCAFFEOYL)-BETA-(D)-GLUCOPYRANOSIDE CH$NAME: FORSYTHOSIDE A TETRAMETHYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C33H44O15 CH$EXACT_MASS: 680.26802 CH$SMILES: O(CC(O3)C(C(C(C(OCCc(c4)ccc(c(OC)4)OC)3)O)O)OC(=O)C([H])=C([H])c(c2)cc(c(OC)c2)OC)C(C(O)1)OC(C(O)C(O)1)C CH$IUPAC: InChI=1S/C33H44O15/c1-17-26(35)27(36)29(38)33(46-17)45-16-24-31(48-25(34)11-8-18-6-9-20(40-2)22(14-18)42-4)28(37)30(39)32(47-24)44-13-12-19-7-10-21(41-3)23(15-19)43-5/h6-11,14-15,17,24,26-33,35-39H,12-13,16H2,1-5H3/b11-8+
AC$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: splash10-02t9-2900000000-ce968d0040a40de78862 PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 18 4.3 43 27 1.4 14 28 5.7 57 29 0.29 3 31 2.1 21 41 3.6 36 42 1.4 14 43 0.79 8 44 2.9 29 45 4.3 43 53 2.9 29 55 0.43 4 56 1.4 14 57 10 100 58 2.1 21 59 0.29 3 60 7.1 71 61 2.9 29 65 1.4 14 69 0.43 4 70 1.4 14 71 12.9 129 72 1.4 14 73 0.93 9 74 2.1 21 75 3.6 36 77 2.9 29 79 0.29 3 81 2.9 29 82 1.4 14 83 4.9 49 84 0.14 1 85 16.4 164 86 1.4 14 87 3.6 36 91 0.43 4 95 1.4 14 96 1.4 14 97 2.9 29 98 0.14 1 99 2.1 21 101 1.4 14 103 4.3 43 105 0.21 2 106 2.9 29 107 2.1 21 109 3.6 36 112 0.21 2 117 2.1 21 119 2.9 29 121 1.4 14 122 0.14 1 123 2.1 21 127 3.6 36 129 9.3 93 133 0.29 3 134 3.6 36 135 4.3 43 137 5 50 138 0.79 8 141 2.9 29 144 2.9 29 146 5.7 57 148 0.29 3 149 15 150 151 40 400 152 6.4 64 164 99.99 999 165 94.3 943 166 19.3 193 167 2.9 29 168 0.29 3 173 1.4 14 178 1.4 14 179 2.1 21 180 0.14 1 181 4.3 43 182 16.4 164 183 5.7 57 191 1.21 12 192 1.4 14 193 6.4 64 207 2.1 21 208 1.57 16 209 2.1 21 210 7.9 79 296 2.1 21 344 0.57 6 371 9.3 93 372 1.4 14 386 2.1 21 472 0.21 2 490 22.1 221 491 5.7 57 492 1.4 14 506 0.14 1 680 2.1 21 //