ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010701
RECORD_TITLE: METHYL TRIACETYL-6-DEOXY-BETA-L-IDOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL TRIACETYL-6-DEOXY-BETA-L-IDOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₈
CH$EXACT_MASS: 304.11582
CH$SMILES: CC(=O)OC([H])(C([H])(C)1)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC)O1
CH$IUPAC: InChI=1S/C13H20O8/c1-6-10(19-7(2)14)11(20-8(3)15)12(21-9(4)16)13(17-5)18-6/h6,10-13H,1-5H3/t6-,10?,11+,12+,13?/m0/s1
CH$LINK: INCHIKEY RTVWBDNQHISFHI-ZEDCYTHJSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9700000000-85de9593efd3e38e4d59
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  40 1 10
  41 3.3 33
  42 1.9 19
  43 99.99 999
  44 3.8 38
  45 3.8 38
  46 1.4 14
  53 0.11 1
  54 1.1 11
  55 3.3 33
  56 1.4 14
  57 0.36 4
  58 3 30
  59 1.4 14
  60 2.2 22
  61 0.3 3
  67 1.4 14
  69 2.2 22
  70 1.4 14
  71 1.23 12
  72 1.9 19
  73 2.7 27
  74 8.7 87
  75 0.14 1
  81 1.6 16
  82 4.4 44
  83 11.5 115
  84 0.25 3
  85 2.7 27
  86 1.4 14
  87 8.2 82
  88 0.16 2
  89 1.4 14
  95 1.4 14
  96 2.7 27
  97 0.16 2
  98 1.4 14
  99 6 60
  100 11.5 115
  101 0.46 5
  102 10.9 109
  103 8.2 82
  104 1.4 14
  105 0.08 1
  109 1.1 11
  110 1.1 11
  111 6 60
  112 0.14 1
  113 9.8 98
  114 2.2 22
  115 14.2 142
  116 0.41 4
  117 1.9 19
  125 1.9 19
  126 1.6 16
  127 0.27 3
  128 1.1 11
  129 3 30
  130 0.8 8
  131 0.08 1
  140 4.9 49
  141 1.9 19
  142 9.6 96
  143 0.33 3
  144 8.7 87
  145 3.8 38
  146 0.8 8
  149 0.16 2
  153 3.3 33
  154 1.1 11
  155 0.8 8
  156 0.08 1
  157 25.1 251
  158 3.3 33
  159 1.4 14
  184 1.17 12
  185 3.3 33
  186 1.4 14
  187 1.1 11
  200 0.14 1
  201 1.1 11
  213 1.6 16
  214 0.8 8
  244 0.08 1
  261 1.4 14
  262 0.5 5
  273 0.8 8
  274 0.03 0
  303 0.3 3
//