ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007318
RECORD_TITLE: DICYCLOHEXYLAMINE; EI-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$NAME: DICYCLOHEXYLAMINE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-9800000000-bf6991a5f5052b3dd840
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 3.56 36
  28 5.5 55
  29 5.38 54
  30 5.47 55
  39 4.05 41
  41 16.93 169
  42 2.14 21
  43 3.86 39
  44 9.59 96
  53 2.32 23
  54 2.58 26
  55 15.14 151
  56 37.51 375
  57 1.74 17
  67 2.4 24
  68 2.24 22
  69 1.42 14
  70 3.04 30
  79 1.18 12
  80 1.04 10
  81 3.6 36
  82 7.21 72
  83 4.43 44
  96 1.78 18
  98 5.06 51
  100 5.83 58
  110 2.42 24
  124 1.2 12
  125 1.8 18
  138 99.99 999
  139 10.8 108
  152 3.26 33
  180 1.18 12
  181 15.4 154
  182 2.2 22
//