ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003428
RECORD_TITLE: COPROSTEROL; 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$NAME: COPROSTEROL
CH$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$LINK: INCHIKEY QYIXCDOBOSTCEI-NWKZBHTNSA-N
CH$LINK: COMPTOX DTXSID1052036

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$SPLASH: splash10-052u-9527000000-d23f4273340e8c85dc8a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  43 32.5 325
  44 43.3 433
  55 31.8 318
  57 21.5 215
  67 21.5 215
  69 18.5 185
  79 18.5 185
  81 2.87 29
  83 11.3 113
  91 13.6 136
  93 21 210
  95 2.75 28
  105 13.6 136
  107 24.2 242
  108 21.7 217
  109 1.81 18
  121 15.4 154
  122 10.9 109
  124 16 160
  133 1 10
  135 12.2 122
  147 12.4 124
  149 21.9 219
  215 3 30
  216 13.6 136
  217 14.2 142
  233 45.6 456
  234 2.93 29
  355 14.3 143
  370 16.9 169
  373 34.7 347
  388 99.99 999
  389 30.3 303
//