ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011490
RECORD_TITLE: B-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$NAME: B-D-GLUCOSE PENTAACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₁₁
CH$EXACT_MASS: 390.11621
CH$SMILES: CC(=O)OCC(O1)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)1
CH$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/t12-,13-,14+,15-,16-/m1/s1
CH$LINK: INCHIKEY LPTITAGPBXDDGR-IBEHDNSVSA-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$SPLASH: splash10-0k97-5930000000-e21c830a522243fe6a57
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  39 4.68 47
  40 7.81 78
  41 17.67 177
  42 20.59 206
  43 67.62 676
  44 60.52 605
  45 12.74 127
  46 1.05 11
  48 1.56 16
  53 4.16 42
  54 3.54 35
  55 14.83 148
  56 6.56 66
  57 22.48 225
  58 1.95 20
  60 10.88 109
  61 14.6 146
  67 3.67 37
  68 7.38 74
  69 46.39 464
  70 25.19 252
  71 20.2 202
  72 1.93 19
  73 47.74 477
  74 5.65 57
  76 1.41 14
  77 1.26 13
  78 4.15 42
  79 1.64 16
  80 18.17 182
  81 49.54 495
  82 11.04 110
  83 8.81 88
  84 9.31 93
  85 42.15 422
  86 25.53 255
  87 3.83 38
  88 1.24 12
  89 2.91 29
  91 2.04 20
  93 2.67 27
  94 8.84 88
  95 6.36 64
  96 6.29 63
  97 55.95 560
  98 74.15 742
  99 38.84 388
  100 4.38 44
  101 9.84 98
  102 25.95 260
  103 64.51 645
  104 8.89 89
  105 1.95 20
  107 6.45 65
  108 1.58 16
  109 31.11 311
  110 5.33 53
  111 7.16 72
  112 26.19 262
  113 23.88 239
  114 36.54 365
  115 80.78 808
  116 39.9 399
  117 4.65 47
  119 1.05 11
  121 2.43 24
  122 3.54 35
  123 3.47 35
  124 1.34 13
  125 8.78 88
  126 48 480
  127 32.46 325
  128 6.89 69
  129 5.04 50
  130 1.1 11
  131 17.86 179
  132 1.9 19
  133 1.31 13
  135 1.64 16
  136 3.3 33
  137 3.89 39
  138 3.18 32
  139 36.06 361
  140 73.72 737
  141 23.18 232
  142 3.98 40
  143 21.14 211
  144 13.71 137
  145 70.9 709
  146 8.95 90
  147 2.19 22
  149 18.4 184
  150 2.87 29
  151 1 10
  152 1 10
  153 3.01 30
  154 1.1 11
  155 32.77 328
  156 9.24 92
  157 86.74 867
  158 70.61 706
  159 10.85 109
  160 1.26 13
  161 2.61 26
  167 10.8 108
  168 37.72 377
  169 46.43 464
  170 5.73 57
  171 4.84 48
  173 3.95 40
  175 2.02 20
  182 26.22 262
  183 3.8 38
  185 5.94 59
  186 11.21 112
  187 9.55 96
  188 1.25 13
  191 1.08 11
  192 1.05 11
  196 1.07 11
  197 22.82 228
  198 3.66 37
  199 51.16 512
  200 84.77 848
  201 18.57 186
  202 3.05 31
  203 11.68 117
  204 1.8 18
  205 1.07 11
  210 10.92 109
  211 22.52 225
  212 3.41 34
  215 27.76 278
  216 3.52 35
  217 2.91 29
  224 1.34 13
  228 25.51 255
  229 10.31 103
  230 1.61 16
  236 2.15 22
  242 99.99 999
  243 49.7 497
  244 8.54 85
  245 21.34 213
  246 3.53 35
  259 2.17 22
  270 5.77 58
  271 2.03 20
  279 6.84 68
  280 1.35 14
  287 2.65 27
  288 9 90
  289 2.32 23
  317 4.54 45
  331 8.84 88
  347 1.83 18
//