ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001805
RECORD_TITLE: CYCLOHEXANONE; 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$NAME: CYCLOHEXANONE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9000000000-ef33444a3514a2701f27
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.55 16
  18 1.4 14
  26 2.95 30
  27 17.55 176
  28 10.25 103
  29 6.6 66
  38 1.94 19
  39 18.87 189
  40 5.12 51
  41 31.21 312
  42 67.47 675
  43 11.02 110
  50 1.16 12
  51 1.48 15
  53 2.33 23
  54 7.38 74
  55 99.99 999
  56 11.34 113
  57 1.55 16
  69 25.93 259
  70 19.72 197
  71 1.55 16
  80 4.11 41
  83 7.38 74
  97 1.71 17
  98 32.84 328
  99 3.03 30
//