ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012174
RECORD_TITLE: CYCLOHEXANE; 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$NAME: CYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.09390
CH$SMILES: C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
CH$LINK: CAS 110-82-7
CH$LINK: INCHIKEY XDTMQSROBMDMFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021923

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$SPLASH: splash10-001i-9000000000-0bd8fb51fcff3d162a79
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  57 1.93 19
  83 99.99 999
  84 10.55 106
  85 14.13 141
//