ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011452
RECORD_TITLE: B-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$NAME: B-D-GALACTOSE PENTAACETATE
CH$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$LINK: INCHIKEY LPTITAGPBXDDGR-LYYZXLFJSA-N
CH$LINK: COMPTOX DTXSID20883736

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0006-6930000000-eaaf976fb6e9844998a4
PK$NUM_PEAK: 154
PK$PEAK: m/z int. rel.int.
  39 3.24 32
  40 7.38 74
  41 19 190
  42 1.09 11
  43 73.81 738
  44 60.16 602
  45 9.33 93
  48 1.48 15
  53 2.78 28
  54 2.48 25
  55 17.96 180
  56 7.42 74
  57 28.58 286
  58 1.69 17
  59 1.21 12
  60 9.43 94
  61 8.17 82
  67 5.02 50
  68 7.11 71
  69 40.09 401
  70 16.21 162
  71 18.7 187
  72 1.4 14
  73 30.37 304
  74 3.48 35
  76 1.59 16
  77 1.18 12
  78 4.82 48
  79 1.66 17
  80 7.38 74
  81 36.38 364
  82 8.46 85
  83 10.43 104
  84 7.98 80
  85 20.51 205
  86 12.51 125
  87 2.46 25
  88 1.41 14
  89 1.7 17
  91 2.29 23
  93 3.56 36
  94 10.07 101
  95 7.85 79
  96 5.25 53
  97 29.95 300
  98 71.92 719
  99 19.59 196
  100 2.29 23
  101 8.95 90
  102 10.29 103
  103 57.2 572
  104 5.46 55
  105 1.86 19
  107 7.76 78
  108 1.84 18
  109 20.31 203
  110 4.59 46
  111 6.21 62
  112 12.03 120
  113 11.58 116
  114 14.86 149
  115 79.99 800
  116 16.26 163
  117 2.33 23
  119 1.09 11
  121 3.53 35
  122 2.3 23
  123 4.54 45
  124 1.57 16
  125 5.57 56
  126 22.18 222
  127 22.62 226
  128 5.12 51
  129 4.4 44
  131 7.25 73
  132 1.23 12
  133 1.57 16
  135 2.44 24
  136 5.15 52
  137 5.8 58
  138 2.41 24
  139 13.93 139
  140 53.16 532
  141 10.39 104
  142 1.57 16
  143 26.94 269
  144 6.49 65
  145 57.53 575
  146 4.76 48
  147 1.92 19
  149 30.73 307
  150 4.28 43
  151 1.57 16
  152 1.01 10
  153 1.87 19
  154 1.01 10
  155 8.33 83
  156 3.26 33
  157 84.86 849
  158 44.98 450
  159 4.98 50
  161 1.81 18
  163 1.17 12
  167 16.57 166
  168 25.49 255
  169 34.3 343
  170 4.08 41
  171 2.27 23
  173 1.78 18
  175 1.62 16
  182 10.1 101
  183 1.93 19
  185 3.94 39
  186 5.72 57
  187 4.7 47
  191 1.41 14
  192 1.41 14
  196 1.7 17
  197 5.57 56
  199 20.08 201
  200 57.86 579
  201 8.48 85
  202 1.27 13
  203 11.73 117
  204 1.46 15
  210 10.6 106
  211 8.5 85
  212 1.19 12
  213 1.19 12
  215 5.16 52
  217 3.27 33
  224 1.42 14
  228 12.51 125
  229 5.69 57
  242 99.99 999
  243 25.1 251
  244 3.8 38
  245 30.73 307
  246 5.31 53
  247 1.1 11
  256 4.23 42
  257 1.18 12
  259 0.99 10
  270 2.92 29
  279 13.15 132
  280 3.33 33
  287 1.68 17
  288 4.96 50
  289 1.4 14
  327 1.39 14
  331 22.09 221
  341 1.19 12
  368 1.34 13
  386 1.44 14
//