ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002072
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL 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$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL BETA-(D)-GLUCOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24O8
CH$EXACT_MASS: 344.14712
CH$SMILES: COc(c1)c(OC)cc(CCOC(O2)C(O)C(O)C(O)C(CO)2)c1
CH$IUPAC: InChI=1S/C16H24O8/c1-21-10-4-3-9(7-11(10)22-2)5-6-23-16-15(20)14(19)13(18)12(8-17)24-16/h3-4,7,12-20H,5-6,8H2,1-2H3
CH$LINK: INCHIKEY NKOSAPZFHNAXPP-UHFFFAOYSA-N
AC$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: splash10-02t9-1900000000-98fb14be0a2e18c5adf4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  28 2.7 27
  43 4.6 46
  45 5.2 52
  57 0.75 8
  60 9 90
  61 3.6 36
  69 3.7 37
  71 0.26 3
  73 8.1 81
  85 5.1 51
  91 4.5 45
  105 0.5 5
  121 2.9 29
  134 4 40
  135 4.4 44
  137 0.38 4
  138 8.2 82
  149 5.4 54
  150 10.2 102
  151 3.85 39
  152 7.6 76
  164 88.7 887
  165 99.99 999
  166 17.9 179
  167 3.6 36
  182 2.4 24
  193 0.2 2
  210 0.75 8
  344 20.1 201
  345 4.3 43
//
