ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003426
RECORD_TITLE: CHOLESTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CHOLESTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₄₈O
CH$EXACT_MASS: 388.37052
CH$SMILES: [H]C(C)(CCCC(C)C)C(C1(C)4)([H])CCC1(C(C([H])2CC4)([H])CCC([H])(C3)C2(C)CCC3([H])O)[H]
CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY QYIXCDOBOSTCEI-QCYZZNICSA-N
CH$LINK: COMPTOX DTXSID40883258

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001c-9685000000-f1bd7d21900c66c26e86
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  43 29.6 296
  44 36.8 368
  55 32.1 321
  57 22.8 228
  67 24.9 249
  69 28.3 283
  71 10 100
  81 2.91 29
  83 12.2 122
  91 12 120
  93 17.2 172
  95 2.55 26
  105 10.5 105
  107 21.5 215
  108 20.7 207
  109 1.66 17
  121 15.6 156
  122 11.1 111
  123 11.7 117
  149 2.47 25
  165 17.2 172
  189 18.5 185
  190 27.2 272
  204 1.53 15
  215 32.5 325
  216 17.5 175
  217 17.2 172
  220 2.43 24
  233 47.6 476
  234 79.2 792
  235 13.2 132
  373 2.17 22
  388 99.99 999
  389 30.2 302
//