MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003635

CYCLOHEXYLMETHANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003635
RECORD_TITLE: CYCLOHEXYLMETHANOL; 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

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CH$NAME: CYCLOHEXYLMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: OCC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
CH$LINK: INCHIKEY VSSAZBXXNIABDN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059212

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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a5c-9000000000-ca0e6eb77702d8e0081a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 2.6 26
  26 3.2 32
  27 20.5 205
  29 1.81 18
  31 11 110
  38 2.9 29
  39 17.3 173
  40 0.2 2
  41 57.8 578
  42 6 60
  43 6.7 67
  51 0.28 3
  53 5 50
  54 11.2 112
  55 99.99 999
  56 0.85 9
  57 6 60
  66 3 30
  67 32.5 325
  68 1.2 12
  69 4 40
  77 3 30
  79 2.2 22
  81 2.85 29
  82 22 220
  83 54.5 545
  84 4 40
  93 2.4 24
  95 0.3 3
  96 13 130
  97 3 30
//