ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003595
RECORD_TITLE: 2-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$NAME: 2-SEC-BUTYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: CCC(C)C(C1)C(O)CCC1
CH$IUPAC: InChI=1S/C10H20O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-11H,3-7H2,1-2H3
CH$LINK: INCHIKEY HSTMKGFYRGMMOF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50963550
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: splash10-0a4i-9300000000-08f48b749734063742ac
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  27 9 90
  28 4.5 45
  29 20.6 206
  31 0.3 3
  39 10 100
  40 1.5 15
  41 32 320
  42 0.6 6
  43 20 200
  44 7.2 72
  45 3 30
  51 0.3 3
  53 7 70
  54 6 60
  55 43.2 432
  56 1.3 13
  57 47 470
  58 4.4 44
  59 4.5 45
  65 0.3 3
  66 3 30
  67 43.5 435
  68 14 140
  69 1.9 19
  70 33.3 333
  71 18.8 188
  72 3.2 32
  73 0.28 3
  77 2 20
  79 6 60
  80 4 40
  81 5.13 51
  82 48.6 486
  83 27 270
  84 6 60
  85 0.8 8
  93 3 30
  95 12 120
  96 19 190
  97 0.7 7
  98 8 80
  99 4.3 43
  108 3.5 35
  109 99.99 999
  110 16.5 165
  111 3 30
  123 17.5 175
  124 0.4 4
  125 3 30
  127 10 100
  138 24.4 244
  139 4 40
//
