ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006951
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-6c26c5016354e3daff39
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 2.98 30
  26 6.52 65
  27 29.97 300
  28 10.95 110
  29 6.28 63
  37 1.4 14
  38 3.75 38
  39 33.99 340
  40 5.94 59
  41 38.31 383
  42 67.75 678
  43 11.06 111
  44 1.04 10
  50 1.85 19
  51 2.61 26
  53 3.35 34
  54 6.28 63
  55 99.99 999
  56 10.41 104
  57 1.09 11
  69 25.26 253
  70 21.98 220
  71 1.27 13
  80 3.71 37
  83 7.11 71
  97 1.47 15
  98 36.42 364
  99 2.31 23
//