ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001553
RECORD_TITLE: PHENYLCYCLOHEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLCYCLOHEXANE
CH$NAME: CYCLOHEXYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆
CH$EXACT_MASS: 160.12520
CH$SMILES: C(C2)CCC(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
CH$LINK: INCHIKEY IGARGHRYKHJQSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061188

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0i03-6900000000-40570fe13d98eec15bbb
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  27 7.44 74
  28 1.73 17
  29 4.41 44
  38 1 10
  39 11.9 119
  40 1.26 13
  41 12.9 129
  42 1 10
  43 1 10
  44 1.05 11
  50 2.88 29
  51 9.02 90
  52 2.99 30
  53 4.32 43
  54 3.46 35
  55 3.98 40
  62 1.26 13
  63 4.51 45
  64 2.15 22
  65 8.91 89
  66 1.21 12
  67 8.12 81
  68 2.78 28
  69 5.19 52
  74 1.05 11
  75 1.42 14
  76 2.1 21
  77 11.22 112
  78 11.69 117
  79 3.99 40
  81 2.15 22
  82 6.29 63
  83 1.21 12
  89 3.04 30
  90 1.05 11
  91 60.7 607
  92 22.07 221
  93 2.05 21
  102 2.99 30
  103 9.33 93
  104 99.99 999
  105 15.25 153
  115 13.27 133
  116 4.72 47
  117 79.46 795
  118 14.68 147
  119 1.99 20
  127 1.47 15
  128 3.1 31
  129 3.2 32
  130 1.68 17
  131 8.23 82
  132 3.04 30
  145 1.47 15
  159 1.21 12
  160 69.76 698
  161 9.96 100
  162 1.05 11
//