MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000033

CYCLOHEXANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000033
RECORD_TITLE: CYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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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

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AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-366e255469d84fceed6e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  51 2.87 29
  53 6.48 65
  54 13.43 134
  55 14.86 149
  56 25.56 256
  57 99.99 999
  58 8.86 89
  66 7.51 75
  67 26.77 268
  68 2.24 22
  69 2.7 27
  70 4.12 41
  71 13.56 136
  72 6.79 68
  81 21 210
  82 37.34 373
  83 4.48 45
  99 2.11 21
  100 2.07 21
//