ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001547
RECORD_TITLE: CYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-88641988de1851f0ca4a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  14 1.53 15
  15 3.26 33
  26 4.9 49
  27 26.23 262
  28 10.7 107
  29 9.08 91
  37 1.55 16
  38 3.75 38
  39 27.88 279
  40 7.7 77
  41 38.48 385
  42 64.13 641
  43 12.2 122
  50 2.15 22
  51 2.28 23
  52 1.13 11
  53 3.36 34
  54 8.9 89
  55 99.99 999
  56 10.9 109
  57 1.85 19
  67 1.15 12
  68 1.03 10
  69 32.23 322
  70 24.78 248
  71 2.28 23
  80 6.78 68
  81 10.11 101
  97 3.18 32
  98 45.21 452
  99 3.38 34
//