ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003601
RECORD_TITLE: 3-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$NAME: 3-METHYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CC(C1)CC(O)CC1
CH$IUPAC: InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
CH$LINK: INCHIKEY HTSABYAWKQAHBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80870642

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$SPLASH: splash10-05iv-9000000000-c2d4227ff7454ab5340a
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  15 5 50
  17 4.8 48
  18 16 160
  26 0.4 4
  27 26 260
  28 10 100
  29 27.9 279
  30 0.35 4
  31 16 160
  32 5.6 56
  38 3.3 33
  39 2.5 25
  40 5 50
  41 41.5 415
  42 26.8 268
  43 3.3 33
  44 28 280
  45 4.4 44
  50 3 30
  51 0.3 3
  52 3 30
  53 8 80
  54 12 120
  55 3.97 40
  56 9 90
  57 55 550
  58 7.3 73
  59 0.4 4
  65 2.8 28
  66 2 20
  67 12.4 124
  68 0.5 5
  69 8 80
  70 11 110
  71 99.99 999
  72 0.71 7
  77 3.2 32
  79 3 30
  81 52.5 525
  82 0.35 4
  83 2.4 24
  85 2 20
  86 3 30
  91 0.4 4
  95 5 50
  96 50 500
  97 4 40
  99 0.25 3
  113 2.3 23
//