ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011491
RECORD_TITLE: A-D-GALACTOSE PENTAACETATE; 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$NAME: A-D-GALACTOSE PENTAACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₁₁
CH$EXACT_MASS: 390.11621
CH$SMILES: CC(=O)OCC([H])(O1)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC(C)=O)1
CH$IUPAC: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3
CH$LINK: INCHIKEY LPTITAGPBXDDGR-UHFFFAOYSA-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$SPLASH: splash10-0fr6-6930000000-9800b852e2198d41f783
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  39 2.72 27
  40 6.52 65
  41 15.22 152
  42 10.2 102
  43 68.03 680
  44 46.56 466
  45 7.4 74
  53 2.76 28
  54 2.14 21
  55 15.06 151
  56 5.33 53
  57 21.66 217
  58 1.33 13
  60 8.78 88
  61 8.83 88
  67 3.7 37
  68 5.13 51
  69 32.63 326
  70 13.63 136
  71 14.7 147
  72 1.33 13
  73 33.33 333
  74 2.82 28
  78 1.19 12
  79 1.17 12
  80 8.09 81
  81 31.89 319
  82 7.39 74
  83 7.97 80
  84 5.36 54
  85 16.26 163
  86 11.22 112
  87 2.63 26
  88 1.05 11
  89 1.55 16
  93 2.24 22
  94 3.4 34
  95 4.75 48
  96 4.27 43
  97 32.76 328
  98 69.15 692
  99 21 210
  100 2.29 23
  101 5.56 56
  102 10.53 105
  103 54.66 547
  104 4.31 43
  105 1.3 13
  107 3.3 33
  109 35.67 357
  110 5.48 55
  111 5.02 50
  112 11.32 113
  113 8.89 89
  114 17.75 178
  115 77.17 772
  117 19.12 191
  118 2.39 24
  121 2.37 24
  122 1.92 19
  123 3.25 33
  124 1.13 11
  125 4.39 44
  126 17.78 178
  127 26.04 260
  128 4 40
  129 3.71 37
  131 8.09 81
  135 1.6 16
  136 3.29 33
  137 3.87 39
  138 1.89 19
  139 15.76 158
  140 60.61 606
  141 11.46 115
  142 1.65 17
  143 10.02 100
  144 5.45 55
  145 50.85 509
  146 4.05 41
  147 1.25 13
  149 17.86 179
  150 2.19 22
  151 1.03 10
  153 1.64 16
  155 6.74 67
  156 3.66 37
  157 81.95 820
  158 48.4 484
  159 5.6 56
  161 1.01 10
  167 9.68 97
  168 10.25 103
  169 59.05 591
  170 6.74 67
  171 2.66 27
  173 1.27 13
  182 12.33 123
  183 2.04 20
  185 2.65 27
  186 4.63 46
  187 5.42 54
  197 6.3 63
  199 24.69 247
  200 68.32 683
  201 9.46 95
  202 1.14 11
  203 6.51 65
  210 4.03 40
  211 8.73 87
  212 1.25 13
  215 2.54 25
  224 1.06 11
  228 5.32 53
  229 5.76 58
  242 99.99 999
  243 32.44 324
  244 5.67 57
  245 18.14 181
  246 3.12 31
  256 2.87 29
  270 2.28 23
  271 1.15 12
  276 7.01 70
  280 1.43 14
  288 2.93 29
  331 59.78 598
  332 14.79 148
//