ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011455
RECORD_TITLE: METHYL 2,3,4,6,-TETRA-ORTHO-[D3]METHYL-A-D-MANNOSIDE-D12; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,3,4,6,-TETRA-ORTHO-[D3]METHYL-A-D-MANNOSIDE-D12
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₆
CH$EXACT_MASS: 250.14164
CH$SMILES: [2H]C([2H])([2H])OCC([H])(O1)C([H])(OC([2H])([2H])[2H])C([H])(OC([2H])([2H])[2H])C([H])(OC([2H])([2H])[2H])C([H])(OC)1
CH$IUPAC: InChI=1S/C11H22O6/c1-12-6-7-8(13-2)9(14-3)10(15-4)11(16-5)17-7/h7-11H,6H2,1-5H3/t7?,8-,9-,10?,11+/m1/s1/i1D3,2D3,3D3,4D3
CH$LINK: INCHIKEY ZYGZAHUNAGVTEC-GMXVFYJPSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a6v-9500000000-13da2667d240d2313257
PK$NUM_PEAK: 136
PK$PEAK: m/z int. rel.int.
  33 11.99 120
  34 2.94 29
  35 1.09 11
  36 8.13 81
  37 1.53 15
  39 5.48 55
  40 10.76 108
  41 11.49 115
  42 29.63 296
  43 26.49 265
  44 32.05 321
  45 25.14 251
  46 5.85 59
  47 9.87 99
  48 63.7 637
  49 9.37 94
  50 27.27 273
  51 1.45 15
  53 11.19 112
  54 5.69 57
  55 12.55 126
  56 8.55 86
  57 12.74 127
  58 7.25 73
  59 8.55 86
  60 12.2 122
  61 8.39 84
  62 17.49 175
  63 12.1 121
  64 1.74 17
  65 2.34 23
  67 1.55 16
  68 4.87 49
  69 6.76 68
  70 3.09 31
  71 8.94 89
  72 5.73 57
  73 17.84 178
  74 66.7 667
  75 14.27 143
  76 65.11 651
  77 40.05 401
  78 85.74 857
  79 18.17 182
  80 5.92 59
  81 68.77 688
  82 5.53 55
  83 5.56 56
  84 2.33 23
  85 4.65 47
  86 6.06 61
  87 5.84 58
  88 19.41 194
  89 4.26 43
  90 11.11 111
  91 75.49 755
  92 23.48 235
  93 25.99 260
  94 97.69 977
  95 73.06 731
  96 8.66 87
  97 2.67 27
  98 7.62 76
  99 3.64 36
  100 2.5 25
  101 12.3 123
  102 10.72 107
  103 2.66 27
  104 57.81 578
  105 5.11 51
  106 14.6 146
  107 95.44 954
  108 49.19 492
  109 6.35 64
  110 3.66 37
  111 2.36 24
  112 1.11 11
  113 1.57 16
  114 20.67 207
  115 3.07 31
  116 3.9 39
  117 2.84 28
  118 1.41 14
  119 4.88 49
  120 13.36 134
  121 8.27 83
  122 3.07 31
  123 14.13 141
  124 1.59 16
  125 2.78 28
  126 1.11 11
  127 1.11 11
  128 2.34 23
  131 1.4 14
  132 2.63 26
  133 23.96 240
  134 3.56 36
  135 5.77 58
  136 1.33 13
  137 11.74 117
  138 1.92 19
  139 1.44 14
  140 9.76 98
  141 1.98 20
  142 1.83 18
  144 1.34 13
  147 1.61 16
  149 14.34 143
  150 3.74 37
  151 18.31 183
  152 2.3 23
  153 2.46 25
  154 23.71 237
  155 99.99 999
  156 20.48 205
  157 3.18 32
  161 7.27 73
  165 1.01 10
  166 2.36 24
  167 4.41 44
  168 4.85 49
  169 1.16 12
  179 9.44 94
  180 1.48 15
  182 1.4 14
  184 3.07 31
  185 54.39 544
  186 6.52 65
  195 1.36 14
  196 31.13 311
  197 4.24 42
  214 3.86 39
  230 1.83 18
  231 27.66 277
  232 4.01 40
  262 0.73 7
//