MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012195

HEXYLCYCLOHEXANE; CI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012195
RECORD_TITLE: HEXYLCYCLOHEXANE; 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$NAME: HEXYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄
CH$EXACT_MASS: 168.18780
CH$SMILES: CCCCCCC(C1)CCCC1
CH$IUPAC: InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
CH$LINK: CAS 4292-75-5
CH$LINK: INCHIKEY QHWAQXOSHHKCFK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7063398

---

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$SPLASH: splash10-014i-1900000000-2fa09939ec0cfa31c6aa
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  57 1.39 14
  71 2.38 24
  83 5.47 55
  85 2.07 21
  97 10.56 106
  99 1.45 15
  111 6.61 66
  113 1.32 13
  125 2.29 23
  139 1.04 10
  153 3.18 32
  167 99.99 999
  168 14.5 145
  169 4.43 44
//