ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008621
RECORD_TITLE: 4-CYCLOHEXYL-4-METHYL-2-PENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-CYCLOHEXYL-4-METHYL-2-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O
CH$EXACT_MASS: 182.16707
CH$SMILES: CC(=O)CC(C)(C)C(C1)CCCC1
CH$IUPAC: InChI=1S/C12H22O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3
CH$LINK: INCHIKEY OAFJAALOFJVHMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047682
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9200000000-c2513f2e2687e901af85
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 6.7 67
  29 7.37 74
  39 9.74 97
  41 30.37 304
  42 2.24 22
  43 99.99 999
  44 1.78 18
  53 5.64 56
  54 3.98 40
  55 24.97 250
  56 6.95 70
  57 6.63 66
  58 4.64 46
  59 1.03 10
  65 1.07 11
  66 1.39 14
  67 13.86 139
  68 3.71 37
  69 11.68 117
  77 1.45 15
  79 2.16 22
  80 4.89 49
  81 25.04 250
  82 13.51 135
  83 14.07 141
  85 24.6 246
  86 1.08 11
  95 4.07 41
  96 1.06 11
  98 1.15 12
  99 13.55 136
  100 4.05 41
  109 16.2 162
  110 1.14 11
  123 1.02 10
  124 58.38 584
  125 10.92 109
  149 1.38 14
//
