ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002074
RECORD_TITLE: 2-(4-METHOXYPHENYL)ETHYL 2,3,4,6-TETRA-O-ACETYL-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$NAME: 2-(4-METHOXYPHENYL)ETHYL 2,3,4,6-TETRA-O-ACETYL-BETA-(D)-GLUCOPYRANOSIDE
CH$NAME: METHYLSALIDROSIDE TETRAACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₃₀O₁₁
CH$EXACT_MASS: 482.17881
CH$SMILES: COc(c2)ccc(c2)CCOC(O1)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)1
CH$IUPAC: InChI=1S/C23H30O11/c1-13(24)30-12-19-20(31-14(2)25)21(32-15(3)26)22(33-16(4)27)23(34-19)29-11-10-17-6-8-18(28-5)9-7-17/h6-9,19-23H,10-12H2,1-5H3
CH$LINK: INCHIKEY QCGLDBJOIZTNGD-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$SPLASH: splash10-0019-1900000000-9088245655f3b29d6ca2
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  41 0.5 5
  43 21.3 213
  44 0.7 7
  55 0.05 1
  57 0.8 8
  61 0.5 5
  69 1.7 17
  70 0.13 1
  71 0.7 7
  73 0.5 5
  77 0.8 8
  79 0.1 1
  80 0.5 5
  81 3.3 33
  82 0.5 5
  83 0.05 1
  85 0.7 7
  91 1 10
  92 0.5 5
  97 1.8 18
  98 0.18 2
  99 1.3 13
  102 1.3 13
  103 3 30
  104 0.05 1
  105 4.7 47
  106 0.7 7
  108 3.7 37
  109 1.05 11
  110 1.3 13
  111 0.5 5
  112 1.5 15
  115 0.22 2
  119 0.5 5
  120 1.2 12
  121 12 120
  122 0.1 1
  127 4.7 47
  128 0.7 7
  134 95.5 955
  135 99.99 999
  136 9.5 95
  137 0.8 8
  139 1.5 15
  140 0.07 1
  141 1.3 13
  144 0.5 5
  145 1.8 18
  149 0.05 1
  152 0.3 3
  157 1.2 12
  163 0.5 5
  169 1.21 12
  170 1.3 13
  187 0.7 7
  211 0.7 7
  229 0.08 1
  271 0.7 7
  331 3.8 38
  332 0.7 7
  482 0.83 8
  483 2.3 23
  484 0.5 5
//