ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003593
RECORD_TITLE: 4-SEC-BUTYLCYCLOHEXANOL; 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$NAME: 4-SEC-BUTYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O
CH$EXACT_MASS: 156.15142
CH$SMILES: CCC(C)C(C1)CCC(O)C1
CH$IUPAC: InChI=1S/C10H20O/c1-3-8(2)9-4-6-10(11)7-5-9/h8-11H,3-7H2,1-2H3
CH$LINK: INCHIKEY NSMFWUVWJSHYTR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80978733

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$SPLASH: splash10-053r-9200000000-6a7a5f4293590d6cd5ca
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  18 2.8 28
  27 7 70
  28 2 20
  29 0.9 9
  31 3 30
  39 7 70
  40 3 30
  41 1.95 20
  42 3.8 38
  43 11.6 116
  44 4 40
  45 0.25 3
  53 5.5 55
  54 6.5 65
  55 25 250
  56 0.7 7
  57 33 330
  58 3.5 35
  66 3 30
  67 2.5 25
  68 3 30
  69 4 40
  70 7 70
  71 0.69 7
  72 7 70
  77 2.8 28
  79 5 50
  80 1.5 15
  81 99.99 999
  82 27.2 272
  83 9 90
  84 0.34 3
  95 4 40
  96 8 80
  97 5 50
  98 0.3 3
  99 3 30
  108 2 20
  109 51 510
  110 7 70
  123 0.4 4
  138 14.5 145
  139 2.8 28
//