ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003602
RECORD_TITLE: CYCLOHEXANOL; 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$NAME: CYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: OC(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
CH$LINK: INCHIKEY HPXRVTGHNJAIIH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021894

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0aou-9000000000-42b2d912cef44647480d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  29 29.2 292
  30 3 30
  31 11 110
  37 0.33 3
  38 5 50
  39 43 430
  40 8 80
  41 4.3 43
  42 16 160
  43 23 230
  44 23 230
  45 0.35 4
  50 7 70
  51 8 80
  52 3.5 35
  53 1.1 11
  54 33.5 335
  55 18 180
  56 13 130
  57 99.99 999
  58 7.3 73
  66 4 40
  67 67.3 673
  68 0.6 6
  69 3 30
  70 3 30
  71 12.7 127
  72 0.65 7
  77 5 50
  78 3 30
  79 7 70
  80 0.2 2
  81 9 90
  82 52 520
  83 5 50
  98 0.3 3
  99 2 20
  100 1.8 18
//