ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005338
RECORD_TITLE: 4-METHYLCYCLOHEXENE; 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$NAME: 4-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: CC(C1)CC=CC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
CH$LINK: INCHIKEY FSWCCQWDVGZMRD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10862257

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$SPLASH: splash10-0a59-9000000000-cfbaf1b66e4ae62f3838
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 0.88 9
  17 1.81 18
  18 8.16 82
  27 1.46 15
  28 16.18 162
  29 3.97 40
  30 7.94 79
  33 0.53 5
  38 0.62 6
  39 2.16 22
  40 32.95 330
  41 3.88 39
  42 18.96 190
  43 3.57 36
  44 0.53 5
  45 0.62 6
  46 0.53 5
  47 0.62 6
  51 2.87 29
  52 5.91 59
  53 2.87 29
  54 14.77 148
  55 74.59 746
  56 40.67 407
  57 2.25 23
  62 0.71 7
  63 1.72 17
  65 4.01 40
  66 3.35 34
  67 31.13 311
  68 26.46 265
  69 1.72 17
  77 5.82 58
  78 1.46 15
  79 9.44 94
  80 1.85 19
  81 99.99 999
  82 6.97 70
  91 1.81 18
  93 0.79 8
  95 6.44 64
  96 38.45 385
  97 2.95 30
//