ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002081
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL 2,3,4-TRI-O-METHYL-ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-2,4,6-TRI-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$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL 2,3,4-TRI-O-METHYL-ALPHA-(L)-RHAMNOPYRANOSYL(1.RAR.3)-2,4,6-TRI-O-METHYL-BETA-(D)-GLUCOPYRANOSIDE
CH$NAME: DEACYLACTEOSIDE PERMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₄₆O₁₂
CH$EXACT_MASS: 574.29893
CH$SMILES: C(OC)(C([H])(OC([H])(C3([H])OC)OC(C([H])(C([H])3OC)OC)([H])C)2)(C([H])(OC([H])(COC)C(OC)2[H])OCCc(c1)cc(OC)c(OC)c1)[H]
CH$IUPAC: InChI=1S/C28H46O12/c1-16-21(32-5)23(34-7)25(35-8)28(38-16)40-24-22(33-6)20(15-29-2)39-27(26(24)36-9)37-13-12-17-10-11-18(30-3)19(14-17)31-4/h10-11,14,16,20-28H,12-13,15H2,1-9H3
CH$LINK: INCHIKEY PCHQTAASXLDCGM-UHFFFAOYSA-N

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$SPLASH: splash10-03xr-3900000000-0e6fa3aa82f97bac8e4b
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  18 2.5 25
  28 1.4 14
  43 1.1 11
  45 0.32 3
  55 1.1 11
  57 1.8 18
  59 10.4 104
  69 0.14 1
  71 16.1 161
  72 3.9 39
  73 2.1 21
  75 1.82 18
  83 1.4 14
  84 1.1 11
  85 2.9 29
  86 0.7 7
  87 1.4 14
  88 30 300
  89 7.5 75
  97 0.39 4
  98 1.4 14
  99 18.2 182
  101 34.3 343
  102 0.32 3
  103 1.4 14
  111 2.1 21
  113 2.9 29
  114 0.11 1
  115 3.9 39
  116 1.1 11
  117 2.9 29
  121 0.11 1
  125 6.4 64
  127 6.4 64
  128 1.1 11
  129 0.89 9
  130 1.1 11
  131 4.3 43
  138 3.2 32
  143 0.14 1
  145 7.5 75
  149 1.1 11
  150 2.5 25
  151 0.36 4
  155 1.1 11
  157 18.2 182
  158 1.8 18
  159 1.86 19
  160 1.4 14
  164 99.99 999
  165 82.9 829
  166 1.93 19
  167 2.9 29
  187 2.1 21
  188 2.9 29
  189 5.89 59
  190 6.8 68
  193 3.6 36
  210 8.9 89
  211 0.14 1
  245 1.4 14
  249 1.4 14
  263 15.4 154
  264 0.21 2
  304 1.4 14
  307 1.1 11
  337 1.4 14
  369 0.29 3
  414 23.6 236
  415 5.4 54
  416 1.4 14
  429 0.11 1
  442 1.8 18
  574 12.9 129
  575 4.6 46
  576 0.11 1
//