ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007930
RECORD_TITLE: DICYCLOHEXYLUREA; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: DICYCLOHEXYLUREA
CH$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$LINK: INCHIKEY ADFXKUOMJKEIND-UHFFFAOYSA-N
CH$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$SPLASH: splash10-0a4i-9100000000-bcc56a556909cc350e88
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  53 1.76 18
  54 4.02 40
  55 16.79 168
  56 99.99 999
  57 6.19 62
  61 35.07 351
  67 6.46 65
  68 1.04 10
  69 2.6 26
  70 19.07 191
  71 1.67 17
  79 1.51 15
  81 3.92 39
  82 4.55 46
  83 5.61 56
  84 1.15 12
  96 0.91 9
  97 2.86 29
  98 17.5 175
  99 38.34 383
  100 8.3 83
  142 2.26 23
  143 18.29 183
  144 1.68 17
  224 14.19 142
  225 2.3 23
//