ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009914
RECORD_TITLE: 1,3-DICYCLOHEXYLUREA; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-9000000000-88dd38a5b2f34d764ec2
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  28 3.8 38
  29 4.6 46
  30 5.2 52
  39 2 20
  41 13.2 132
  42 2 20
  43 15.5 155
  44 1 10
  53 1.8 18
  54 3 30
  55 17 170
  56 99.99 999
  57 7 70
  60 1.3 13
  61 28.3 283
  67 3.8 38
  69 2.2 22
  70 15 150
  71 3 30
  77 4.1 41
  79 2.7 27
  81 4.7 47
  82 5 50
  83 10 100
  84 1.2 12
  96 1.6 16
  97 1.5 15
  98 20.8 208
  99 33.7 337
  100 7 70
  141 1.8 18
  142 3 30
  143 20.2 202
  224 19 190
  225 3.7 37
//