ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002390
RECORD_TITLE: 2-METHYLCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O
CH$EXACT_MASS: 112.08882
CH$SMILES: CC(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
CH$LINK: INCHIKEY LFSAPCRASZRSKS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6052245
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-066r-9100000000-72692ff8e12de3c934c7
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  40 1.26 13
  42 48.15 482
  43 26.64 266
  50 1.42 14
  51 2.16 22
  53 5.33 53
  54 3.82 38
  55 50.94 509
  56 47.68 477
  57 5.86 59
  58 11.54 115
  59 2.69 27
  66 1.31 13
  67 9.63 96
  68 99.99 999
  69 51.05 511
  70 14.51 145
  71 4.15 42
  79 5.49 55
  81 4.17 42
  83 22.52 225
  84 33.05 331
  85 2.1 21
  94 4.76 48
  97 14.31 143
  98 1.83 18
  111 1.55 16
  112 60.45 605
  113 4.94 49
//
