ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C35H58O16/c1-37-18-35(46-10)19-48-24(32(35)45-9)16-23-26(40-4)28(42-6)30(43-7)34(49-23)51-29-27(41-5)25(17-36)50-33(31(29)44-8)47-14-13-20-11-12-21(38-2)22(15-20)39-3/h11-12,15,23-34,36H,13-14,16-19H2,1-10H3
CH$LINK: INCHIKEY QROCMEVIGXNSFG-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$SPLASH: splash10-0409-4900000000-cec8a816a17c9b07b04a
PK$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
//
