ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000032
RECORD_TITLE: CYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: O=C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
CH$LINK: INCHIKEY JHIVVAPYMSGYDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020359

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-052b-9000000000-7f647b6a300fe214ba1c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  53 5.72 57
  54 9.42 94
  55 99.99 999
  56 16.59 166
  57 11.33 113
  58 2.84 28
  60 12.62 126
  67 7.39 74
  68 6.46 65
  69 33.6 336
  70 36.18 362
  71 8.92 89
  73 8.73 87
  74 2.38 24
  75 2.16 22
  77 2.38 24
  79 7.09 71
  80 8.65 87
  81 17.99 180
  82 6.1 61
  83 22.07 221
  84 3.99 40
  85 2.27 23
  87 2.62 26
  96 3.8 38
  97 31.88 319
  98 99.75 998
  99 28.26 283
  100 3.39 34
//