MassBank Record: JP002079



 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-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: JP002079
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-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$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-4-O-(DI-O-METHYLCAFFEOYL)-BETA-(D)-GLUCOPYRANOSIDE CH$NAME: ACTEOSIDE TETRAMETHYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C33H44O15 CH$EXACT_MASS: 680.26802 CH$SMILES: C([H])(c(c4)cc(c(OC)c4)OC)=C([H])C(OC(C2CO)C(OC(C(O)3)OC(C)C(C(O)3)O)C(O)C(O2)OCCc(c1)cc(c(OC)c1)OC)=O CH$IUPAC: InChI=1S/C33H44O15/c1-17-26(36)27(37)28(38)33(45-17)48-31-29(39)32(44-13-12-19-7-10-21(41-3)23(15-19)43-5)46-24(16-34)30(31)47-25(35)11-8-18-6-9-20(40-2)22(14-18)42-4/h6-11,14-15,17,24,26-34,36-39H,12-13,16H2,1-5H3/b11-8+
AC$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: splash10-03di-3900000000-c4f369aab8214bd4dd4e PK$NUM_PEAK: 103 PK$PEAK: m/z int. rel.int. 18 4.3 43 27 2.8 28 28 16 160 29 0.43 4 31 3.8 38 32 3.8 38 39 2.4 24 41 0.38 4 42 2.4 24 43 7.6 76 44 2.4 24 45 0.43 4 53 1.9 19 55 4.7 47 56 2.4 24 57 0.66 7 58 2.8 28 59 2.8 28 60 5.2 52 61 0.24 2 69 4.7 47 71 10.4 104 73 6.6 66 75 0.28 3 77 2.8 28 79 2.4 24 81 2.4 24 82 0.14 1 83 2.4 24 84 1.9 19 85 12.3 123 86 0.14 1 87 3.8 38 90 1.4 14 91 3.8 38 94 0.14 1 95 2.4 24 97 2.8 28 99 3.8 38 103 0.38 4 105 2.8 28 107 3.3 33 108 1.4 14 109 0.24 2 110 1.4 14 113 1.4 14 117 1.9 19 118 0.14 1 119 1.9 19 120 1.4 14 121 2.8 28 123 0.19 2 126 1.4 14 127 1.9 19 128 2.4 24 129 0.57 6 133 2.4 24 134 2.4 24 135 4.7 47 137 0.28 3 138 6.6 66 145 2.8 28 147 5.7 57 148 0.14 1 149 3.3 33 150 6.1 61 151 32.1 321 152 0.57 6 161 6.1 61 163 2.8 28 164 99.99 999 165 8.3 83 166 17.9 179 167 3.8 38 168 2.4 24 169 0.28 3 177 1.4 14 178 3.3 33 179 2.4 24 180 0.24 2 181 1.9 19 182 9 90 183 6.6 66 184 0.14 1 191 39.6 396 192 6.6 66 193 5.7 57 195 0.19 2 207 1.4 14 208 17 170 209 4.7 47 210 0.38 4 344 3.8 38 370 2.4 24 372 3.8 38 386 0.14 1 490 9 90 491 2.4 24 516 1.4 14 534 0.85 9 535 2.4 24 680 3.8 38 681 1.9 19 //