ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001887
RECORD_TITLE: 5ALPHA-CHOLESTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 5ALPHA-CHOLESTANE
CH$NAME: 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$SPLASH: splash10-014i-9851000000-ca7764e1c20d14348ad4
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  39 2 20
  41 22.2 222
  42 2.5 25
  43 31.8 318
  45 1.7 17
  53 4 40
  54 2 20
  55 36 360
  56 3.4 34
  57 17.2 172
  65 1.3 13
  66 1.3 13
  67 29 290
  68 9.2 92
  69 19.3 193
  70 1.9 19
  71 7.5 75
  77 4.1 41
  78 1.2 12
  79 15.9 159
  80 4.8 48
  81 36.1 361
  82 7.9 79
  83 15.8 158
  84 1.3 13
  85 1.5 15
  91 8.5 85
  92 2.4 24
  93 19.5 195
  94 7.4 74
  95 40 400
  96 5.5 55
  97 10 100
  105 6.4 64
  106 2.8 28
  107 17.3 173
  108 18.3 183
  109 41.2 412
  110 5.5 55
  111 4.3 43
  117 1.1 11
  119 3.8 38
  120 2.4 24
  121 19 190
  122 15.8 158
  123 20.6 206
  124 2.4 24
  125 1.2 12
  131 1 10
  133 4.3 43
  134 2.3 23
  135 15.7 157
  136 7 70
  137 7.6 76
  147 6.9 69
  148 11.9 119
  149 49.2 492
  150 18.2 182
  151 8.8 88
  152 1.8 18
  161 6.3 63
  162 7.1 71
  163 8.8 88
  164 2.3 23
  165 1 10
  175 9.2 92
  176 3.5 35
  177 2.5 25
  189 3.8 38
  190 3.6 36
  191 1.3 13
  203 13.4 134
  204 3.3 33
  205 1.2 12
  216 1.7 17
  217 99.99 999
  218 55.2 552
  219 17.3 173
  220 2.2 22
  231 1.5 15
  232 13.7 137
  233 3.4 34
  259 2 20
  262 8.3 83
  263 2.1 21
  315 1.2 12
  343 1.5 15
  357 26.4 264
  358 7.6 76
  359 1.1 11
  372 32 320
  373 8.9 89
  374 1.3 13
//