ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006954
RECORD_TITLE: 2-PROPYLCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 2-PROPYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O
CH$EXACT_MASS: 140.12012
CH$SMILES: CCCC(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3
CH$LINK: INCHIKEY OCJLPZCBZSCVCO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20870429
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$SPLASH: splash10-0005-9000000000-7f16b98b0aedf3f3ad57
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.68 17
  26 1.76 18
  27 26.19 262
  28 10.58 106
  29 16.17 162
  39 23.39 234
  40 2.66 27
  41 46.6 466
  42 18.1 181
  43 10.89 109
  51 1.68 17
  52 1.07 11
  53 5.18 52
  54 7.58 76
  55 35.6 356
  56 13.4 134
  57 2.36 24
  65 1.36 14
  67 5.34 53
  68 2.11 21
  69 11.63 116
  70 20.88 209
  71 1.51 15
  77 1.32 13
  79 1.65 17
  81 4.05 41
  83 19.06 191
  84 3.21 32
  93 1.03 10
  96 1.68 17
  97 13.23 132
  98 99.99 999
  99 5.23 52
  111 5.47 55
  140 1.93 19
//
