ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002302
RECORD_TITLE: 2,2-DIMETHYLCYCLOHEXANONE; 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$NAME: 2,2-DIMETHYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O
CH$EXACT_MASS: 126.10447
CH$SMILES: O=C(C1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
CH$LINK: INCHIKEY KNSPBSQWRKKAPI-UHFFFAOYSA-N
AC$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: splash10-0apl-9000000000-fe0c8568c4c5c7bdb4a0
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  40 35.61 356
  42 49.23 492
  43 9.93 99
  44 18.95 190
  45 1.99 20
  51 1.69 17
  53 4.96 50
  54 3.6 36
  55 44.59 446
  56 61.64 616
  57 7.58 76
  58 9.75 98
  59 2.88 29
  67 11.72 117
  68 37.61 376
  69 59.84 598
  70 14.07 141
  71 2.27 23
  74 1.67 17
  77 1.43 14
  79 1.11 11
  81 1.77 18
  82 99.99 999
  83 15.63 156
  84 7.26 73
  93 1.88 19
  95 1.23 12
  97 4.43 44
  98 16.34 163
  99 1.27 13
  108 1.22 12
  111 3.03 30
  126 43 430
  127 4 40
//
