ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003599
RECORD_TITLE: 4-METHYLCYCLOHEXANOL; 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$NAME: 4-METHYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CC(C1)CCC(O)C1
CH$IUPAC: InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
CH$LINK: INCHIKEY MQWCXKGKQLNYQG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060434

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$SPLASH: splash10-0a4i-9000000000-38728f800efc1a153770
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  18 3 30
  27 9 90
  28 4 40
  29 1.54 15
  30 3 30
  31 4 40
  39 8.8 88
  40 0.25 3
  41 27.9 279
  42 8 80
  43 9.3 93
  44 1.1 11
  45 2.7 27
  51 3 30
  53 4.5 45
  54 0.45 5
  55 26.8 268
  56 10.8 108
  57 99.99 999
  58 4.2 42
  59 3.5 35
  67 8.6 86
  68 8.5 85
  69 0.35 4
  70 29.9 299
  71 11.3 113
  72 2 20
  73 0.2 2
  77 4 40
  79 3 30
  81 39.2 392
  82 0.48 5
  83 2.5 25
  84 3 30
  85 4.5 45
  86 0.25 3
  95 5 50
  96 29 290
  97 5.5 55
  112 0.29 3
  113 3 30
  114 2.9 29
//