ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003600
RECORD_TITLE: 2-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$NAME: 2-METHYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CC(C1)C(O)CCC1
CH$IUPAC: InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
CH$LINK: COMPTOX DTXSID90862235
CH$LINK: INCHIKEY NDVWOBYBJYUSMF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11418

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$SPLASH: splash10-0aor-9000000000-35e0aa145277102b1607
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 2 20
  17 1.9 19
  18 6 60
  26 0.2 2
  27 13.6 136
  28 7.5 75
  29 19 190
  30 0.3 3
  31 6 60
  32 2 20
  38 2.5 25
  39 1.55 16
  40 5 50
  41 34 340
  42 19 190
  43 2.5 25
  44 22.7 227
  45 9.6 96
  50 2 20
  51 0.2 2
  53 7.6 76
  54 16 160
  55 47.4 474
  56 0.86 9
  57 99.99 999
  58 15.5 155
  59 2 20
  65 0.37 4
  66 3.5 35
  67 24 240
  68 64 640
  69 0.8 8
  70 14 140
  71 49.8 498
  72 8.2 82
  77 0.34 3
  79 2.2 22
  81 70 700
  82 6.7 67
  83 0.3 3
  85 8 80
  86 8 80
  92 2.9 29
  93 0.3 3
  95 6.8 68
  96 66 660
  97 9.4 94
  99 0.27 3
  113 3 30
  114 13 130
  115 4 40
//