ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C33H44O15/c1-17-26(35)27(36)29(38)33(46-17)45-16-24-31(48-25(34)11-8-18-6-9-20(40-2)22(14-18)42-4)28(37)30(39)32(47-24)44-13-12-19-7-10-21(41-3)23(15-19)43-5/h6-11,14-15,17,24,26-33,35-39H,12-13,16H2,1-5H3/b11-8+
CH$LINK: INCHIKEY CERZOTHONLEIEF-DHZHZOJOSA-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$SPLASH: splash10-02t9-2900000000-ce968d0040a40de78862
PK$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
//
