ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012193
RECORD_TITLE: BICYCLOHEXYL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BICYCLOHEXYL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂
CH$EXACT_MASS: 166.17215
CH$SMILES: C(C2)CCC(C2)C(C1)CCCC1
CH$IUPAC: InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
CH$LINK: CAS 92-51-3
CH$LINK: INCHIKEY WVIIMZNLDWSIRH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021802

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-014i-1900000000-f2e0318ef70843c2c672
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  71 1.35 14
  82 2.09 21
  83 4.73 47
  97 6.48 65
  109 1.37 14
  111 4.68 47
  163 2.08 21
  165 99.99 999
  166 15.71 157
  167 7.38 74
//