ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011489
RECORD_TITLE: A-D-GLUCOSE 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$NAME: A-D-GLUCOSE PENTAACETATE
CH$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$SPLASH: splash10-0fr7-5930000000-4744f03cb713ca68d089
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  39 2.29 23
  40 4.55 46
  41 8.51 85
  42 11.8 118
  43 68.83 688
  44 47.91 479
  45 6.67 67
  51 1.32 13
  53 2.3 23
  54 1.73 17
  55 8.3 83
  56 0.35 4
  57 11.98 120
  60 6.26 63
  61 10.6 106
  67 1.52 15
  68 3.51 35
  69 21.77 218
  70 12.57 126
  71 9.61 96
  73 32.57 326
  74 3.39 34
  77 2.25 23
  78 2.25 23
  80 8.66 87
  81 27.91 279
  82 6.16 62
  83 4.08 41
  84 3.77 38
  85 18.54 185
  86 14.36 144
  87 2.13 21
  89 1.66 17
  94 5.22 52
  95 2.67 27
  96 3.14 31
  97 42.94 429
  98 70.43 704
  99 22.19 222
  100 2.43 24
  101 5.16 52
  102 14.36 144
  103 60.54 605
  104 4.48 45
  105 1.05 11
  107 3.72 37
  109 52.32 523
  110 7.05 71
  111 3.8 38
  112 13.72 137
  113 10.63 106
  114 19.52 195
  115 79.17 792
  116 23.1 231
  117 2.47 25
  122 1.69 17
  123 1.25 13
  125 3.77 38
  126 23 230
  127 28.41 284
  128 4.52 45
  129 2.66 27
  131 9.32 93
  132 1.01 10
  137 1.2 12
  138 1.66 17
  139 22.13 221
  140 65.88 659
  141 13.02 130
  142 1.85 19
  143 11.75 118
  144 8.04 80
  145 61.38 614
  146 4.75 48
  147 1 10
  149 5.59 56
  152 1.39 14
  153 1.75 18
  154 1.05 11
  155 11.88 119
  156 4.29 43
  157 83.84 838
  158 51.4 514
  159 5.45 55
  161 1.13 11
  167 3.49 35
  168 15.56 156
  169 72.96 730
  170 9.97 100
  171 3.35 34
  173 1.88 19
  182 14.5 145
  183 3.38 34
  185 3.5 35
  186 6.35 64
  187 6.01 60
  197 11.15 112
  198 1.69 17
  199 27.02 270
  200 74.79 748
  201 13.05 131
  202 1.89 19
  203 5.41 54
  210 5.19 52
  211 14.07 141
  212 2.07 21
  215 8.51 85
  216 1.12 11
  217 1.23 12
  228 7.83 78
  229 5.07 51
  242 99.99 999
  243 32.55 326
  244 5.86 59
  245 10.92 109
  246 1.7 17
  270 3.29 33
  271 6.44 64
  272 1.14 11
  277 9.46 95
  278 6.72 67
  279 3.42 34
  287 1.55 16
  288 4.94 49
  289 3.4 34
  317 1.22 12
  331 35.1 351
  347 1.26 13
//