ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007942
RECORD_TITLE: DICYCLOHEXYLUREA; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-0002-2910000000-0d3decc3213acbc9ca32
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  42 15.08 151
  46 26.42 264
  59 11.61 116
  62 5.24 52
  79 2.37 24
  81 2.27 23
  87 17.93 179
  88 6.7 67
  89 4.27 43
  98 2.39 24
  102 2.51 25
  111 2.88 29
  112 68.15 682
  113 6.3 63
  114 3.26 33
  121 2.3 23
  126 7.04 70
  127 10.19 102
  128 8.23 82
  140 7.07 71
  141 7.6 76
  142 10.95 110
  146 5.35 54
  147 3.74 37
  148 99.99 999
  149 12.27 123
  150 2.32 23
  154 4.47 45
  162 7.73 77
  163 3.76 38
  164 4.24 42
  165 3.47 35
  168 2.6 26
  176 4.83 48
  179 11.07 111
  180 3.57 36
  182 2.52 25
  190 2.54 25
  194 2.49 25
  206 2.56 26
  208 3.18 32
  218 25.37 254
  219 5.34 53
  221 3.85 39
  222 3.08 31
  223 7.98 80
  224 2.61 26
  228 2.5 25
  250 3.14 31
  259 2.84 28
//