ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009799
RECORD_TITLE: 2-PHENYLCYCLOHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 2-PHENYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O
CH$EXACT_MASS: 176.12012
CH$SMILES: OC(C2)C(CCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2
CH$LINK: INCHIKEY AAIBYZBZXNWTPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041446

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002f-6900000000-f68a06f8487cd0c8f4c3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 5 50
  29 7.1 71
  39 6.8 68
  41 0.57 6
  43 5.9 59
  51 5.2 52
  57 16 160
  65 0.72 7
  67 6.9 69
  71 12.5 125
  77 11.4 114
  78 1.14 11
  79 7.8 78
  80 4.9 49
  84 4.6 46
  85 1.29 13
  91 99.99 999
  92 46.6 466
  93 4.9 49
  98 2.48 25
  103 9.4 94
  104 45.6 456
  105 18.9 189
  115 1.37 14
  116 4.5 45
  117 45 450
  118 5.9 59
  120 0.39 4
  128 4.9 49
  129 26.5 265
  130 45 450
  131 0.82 8
  132 16.3 163
  133 8.1 81
  143 13.1 131
  158 1.56 16
  176 88.8 888
  177 12.1 121
//