ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005325
RECORD_TITLE: METHYLCYCLOHEXANE; 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$NAME: METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY UAEPNZWRGJTJPN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047749

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$SPLASH: splash10-0a5c-9000000000-c6881e4acb08e32a7f47
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 1.02 10
  26 1.43 14
  27 16.17 162
  28 4.09 41
  29 13.2 132
  38 1.12 11
  39 19.64 196
  40 3.37 34
  41 44.8 448
  42 29.67 297
  43 7.16 72
  50 1.02 10
  51 1.94 19
  52 1.02 10
  53 5.22 52
  54 4.81 48
  55 77.75 778
  56 28.8 288
  57 4.91 49
  65 1.02 10
  67 4.71 47
  68 9.21 92
  69 21.59 216
  70 21.9 219
  71 1.22 12
  81 1.33 13
  82 15.14 151
  83 99.99 999
  84 6.25 63
  97 2.35 24
  98 48.84 488
  99 3.78 38
//