ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010572
RECORD_TITLE: 1,3-DICYCLOHEXYLUREA; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DICYCLOHEXYLUREA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄N₂O
CH$EXACT_MASS: 224.18886
CH$SMILES: O=C(NC(C2)CCCC2)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
CH$LINK: CAS 2387-23-7
CH$LINK: INCHIKEY ADFXKUOMJKEIND-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3062366

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-9000000000-9d4c20d440ea04067a28
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  18 2.93 29
  27 6.18 62
  28 14.13 141
  29 6.77 68
  30 7.61 76
  39 7.02 70
  40 1.17 12
  41 23.49 235
  42 5.18 52
  43 19.06 191
  44 3.68 37
  53 3.34 33
  54 4.76 48
  55 22.9 229
  56 99.99 999
  57 6.35 64
  61 22.82 228
  67 4.43 44
  68 1.25 13
  69 2.42 24
  70 11.12 111
  71 1.09 11
  79 1.34 13
  81 3.68 37
  82 3.84 38
  83 6.94 69
  84 1 10
  85 1.76 18
  98 16.72 167
  99 28 280
  100 5.93 59
  142 2.34 23
  143 17.3 173
  144 1.42 14
  224 19.56 196
  225 3.43 34
//