ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004122
RECORD_TITLE: CHOLESTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CHOLESTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₈
CH$EXACT_MASS: 372.37560
CH$SMILES: C(C1)CCC([H])(C4)C(C(C3([H])C4)([H])CCC(C3([H])2)(C)C([H])(CC2)C(CCCC(C)C)([H])C)(C)1
CH$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-XWLABEFZSA-N

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-066s-9841000000-c2bdc892377d975f6701
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  29 6 60
  41 20 200
  42 2 20
  43 30 300
  53 3 30
  54 2 20
  55 40 400
  56 0.4 4
  57 20 200
  67 33 330
  68 10 100
  69 2.3 23
  70 2 20
  71 10 100
  77 4 40
  79 1.6 16
  80 5 50
  81 45 450
  82 10 100
  83 2 20
  84 2 20
  85 2 20
  93 22 220
  94 0.2 2
  95 45 450
  97 13 130
  105 6 60
  106 0.3 3
  107 19 190
  108 21 210
  109 45 450
  110 0.6 6
  111 6 60
  119 4 40
  120 3 30
  121 2.2 22
  122 19 190
  123 21 210
  124 3 30
  125 0.2 2
  133 4 40
  134 2 20
  135 15 150
  137 1 10
  148 16 160
  149 50 500
  150 20 200
  151 1 10
  152 2 20
  161 6 60
  162 8 80
  163 0.9 9
  164 2 20
  175 9 90
  176 3 30
  177 0.3 3
  189 4 40
  190 3 30
  191 2 20
  203 1.4 14
  204 4 40
  216 2 20
  217 99.99 999
  218 6.8 68
  219 19 190
  220 2 20
  232 13 130
  233 0.4 4
  259 2 20
  262 12 120
  263 3 30
  357 2.6 26
  372 50 500
  373 16 160
  374 2 20
//