ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005340
RECORD_TITLE: 1-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$NAME: 1-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: [H]C(C1)=C(C)CCC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
CH$LINK: INCHIKEY CTMHWPIWNRWQEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060451

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$SPLASH: splash10-00lr-9000000000-5168a17331c71387c458
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 1.28 13
  28 14.43 144
  29 2.47 25
  30 7.5 75
  32 0.82 8
  33 0.62 6
  38 0.51 5
  39 2.05 21
  40 23.16 232
  41 5.86 59
  42 16.38 164
  43 3.18 32
  44 1.03 10
  46 0.92 9
  47 1.03 10
  50 2.52 25
  51 5.44 54
  52 2.82 28
  53 17.67 177
  54 18.59 186
  55 33.74 337
  56 2.26 23
  59 0.62 6
  62 0.82 8
  63 1.9 19
  65 4.11 41
  66 3.65 37
  67 39.63 396
  68 42.03 420
  69 2.41 24
  71 1.28 13
  77 5.65 57
  78 1.49 15
  79 10.12 101
  80 2.05 21
  81 99.99 999
  82 6.57 66
  91 2.52 25
  93 1.28 13
  94 0.51 5
  95 7.4 74
  96 38.25 383
  97 2.88 29
//