ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002711
RECORD_TITLE: 5-ALPHA-CHOLESTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ALPHA-CHOLESTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₈
CH$EXACT_MASS: 372.37560
CH$SMILES: C(C([H])41)([H])(C(C([H])3CC4)(C)CCCC3)CCC(C)(C(C(C)CCCC(C)C)2)C1([H])CC2
CH$IUPAC: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23?,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY XIIAYQZJNBULGD-GZHIZRLSSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-066r-9852000000-3f16668bd0029614e716
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  53 5.3 53
  54 1.5 15
  55 32.3 323
  56 4.8 48
  57 19.7 197
  58 2.2 22
  59 0.6 6
  65 0.31 3
  66 1.9 19
  67 25.2 252
  68 10.7 107
  69 2.37 24
  70 3.2 32
  71 7.1 71
  72 1.9 19
  75 1.59 16
  76 2.8 28
  77 6.9 69
  78 1.7 17
  79 1.56 16
  80 5.3 53
  81 39.1 391
  82 9.4 94
  83 1.67 17
  84 1.9 19
  85 2 20
  87 0.5 5
  88 0.16 2
  91 9.9 99
  92 2.7 27
  93 20.9 209
  94 0.88 9
  95 40 400
  96 1 10
  97 11 110
  98 0.16 2
  99 1.2 12
  101 1.1 11
  105 8.4 84
  106 0.45 5
  107 15.6 156
  108 18.9 189
  109 39.8 398
  110 0.19 2
  111 4.9 49
  112 1.9 19
  113 1.4 14
  115 0.07 1
  116 1.5 15
  117 2 20
  118 1.4 14
  119 0.37 4
  120 3.5 35
  121 20.4 204
  122 16.7 167
  123 1.99 20
  124 3.1 31
  125 1.2 12
  128 1.4 14
  129 0.22 2
  131 1.3 13
  134 2.5 25
  135 15.6 156
  136 0.56 6
  137 8.8 88
  138 1 10
  143 0.2 2
  145 0.09 1
  146 1.2 12
  147 5.9 59
  148 12.6 126
  149 4.73 47
  150 19 190
  151 11.1 111
  152 1.7 17
  153 0.12 1
  155 1.4 14
  159 1.8 18
  161 4.5 45
  162 0.83 8
  163 7.5 75
  164 2.2 22
  165 0.4 4
  175 0.97 10
  176 0.8 8
  178 0.1 1
  179 0.6 6
  189 0.36 4
  190 1.8 18
  202 1 10
  203 9.4 94
  204 0.22 2
  215 1.2 12
  216 1.3 13
  217 99.99 999
  218 5.7 57
  219 15.2 152
  220 3 30
  221 0.6 6
  223 0.01 0
  231 1.9 19
  232 12.7 127
  233 4.1 41
  247 0.16 2
  251 0.3 3
  257 3.7 37
  258 1.2 12
  259 0.15 2
  262 9.6 96
  263 1.5 15
  266 0.1 1
  295 0.03 0
  315 1.1 11
  354 1.6 16
  357 27.2 272
  358 0.86 9
  370 1.2 12
  372 33.8 338
  373 8.6 86
  374 1.2 12
//