ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007416
RECORD_TITLE: N-CYCLOHEXYLCYCLOHEXANAMINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-CYCLOHEXYLCYCLOHEXANAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₃N
CH$EXACT_MASS: 181.18305
CH$SMILES: C(C2)CCC(C2)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
CH$LINK: CAS 101-83-7
CH$LINK: INCHIKEY XBPCUCUWBYBCDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025018

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-0900000000-fb7b01f3c3db92452e83
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  100 0.5 5
  138 10.98 110
  139 1.35 14
  142 0.66 7
  180 15.99 160
  181 26.37 264
  182 99.99 999
  183 13.63 136
  184 0.93 9
  222 0.69 7
  224 3.77 38
  225 0.66 7
  238 0.58 6
//