MassBank Record: JP002082



 2-(3,4-DIMETHOXYPHENYL)ETHYL 2,3,5-TRI-O-METHYL-BETA-(D)-APIOFURANOSYL(1.RAR.6)-2,3,4-TRI-O-METHYL-ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-2,4-DI-O-METHYL-BETA-(D)-GLUCOPYRANOSIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002082
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL 2,3,5-TRI-O-METHYL-BETA-(D)-APIOFURANOSYL(1.RAR.6)-2,3,4-TRI-O-METHYL-ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-2,4-DI-O-METHYL-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$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL 2,3,5-TRI-O-METHYL-BETA-(D)-APIOFURANOSYL(1.RAR.6)-2,3,4-TRI-O-METHYL-ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-2,4-DI-O-METHYL-BETA-(D)-GLUCOPYRANOSIDE CH$NAME: DEACYLFORSYTHOSIDE B PERMETHYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C35H58O16 CH$EXACT_MASS: 734.37249 CH$SMILES: COc(c(OC)4)ccc(c4)CCOC(O1)C(C(OC(O2)C(C(C(C(CC(O3)C(C(C3)(OC)COC)OC)2)OC)OC)OC)C(C(CO)1)OC)OC CH$IUPAC: InChI=1S/C35H58O16/c1-37-18-35(46-10)19-48-24(32(35)45-9)16-23-26(40-4)28(42-6)30(43-7)34(49-23)51-29-27(41-5)25(17-36)50-33(31(29)44-8)47-14-13-20-11-12-21(38-2)22(15-20)39-3/h11-12,15,23-34,36H,13-14,16-19H2,1-10H3
AC$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: splash10-0409-4900000000-cec8a816a17c9b07b04a PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 17 2.1 21 18 15.8 158 28 6.3 63 29 0.21 2 41 2.1 21 43 3.2 32 45 11.6 116 57 0.21 2 59 13.7 137 67 1.1 11 69 2.1 21 71 2 20 72 4.2 42 73 2.1 21 75 75.8 758 76 0.42 4 81 2.1 21 83 1.1 11 84 1.1 11 85 0.63 6 87 1.1 11 88 32.6 326 89 5.3 53 97 0.53 5 99 23.2 232 100 2.1 21 101 41.1 411 102 0.32 3 103 1.1 11 105 1.1 11 111 7.4 74 113 0.63 6 114 7.4 74 115 7.4 74 116 2.1 21 117 0.42 4 125 5.3 53 127 5.3 53 128 2.1 21 129 1.58 16 130 2.1 21 131 3.2 32 138 4.2 42 141 0.11 1 143 35.8 358 144 5.3 53 145 10.5 105 151 0.32 3 157 12.6 126 164 99.99 999 165 69.5 695 166 1.58 16 167 2.1 21 173 2.1 21 174 4.2 42 175 0.74 7 178 1.1 11 179 2.1 21 181 3.2 32 188 0.42 4 189 61.1 611 190 8.4 84 191 2.1 21 193 0.32 3 195 2.1 21 207 2.1 21 210 5.3 53 263 0.42 4 323 2.1 21 429 3.2 32 512 1.1 11 575 0.74 7 576 2.1 21 589 3.2 32 590 1.1 11 603 0.11 1 605 1.1 11 734 17.9 179 735 6.3 63 736 2.1 21 //