ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005339
RECORD_TITLE: 3-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$NAME: 3-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: CC(C1)C=CCC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
CH$LINK: INCHIKEY UZPWKTCMUADILM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70862258

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$SPLASH: splash10-00lr-9000000000-34427aee78a6d1324948
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 1.34 13
  28 14.71 147
  29 2.31 23
  30 7 70
  33 0.57 6
  38 0.57 6
  39 2.06 21
  40 22.74 227
  41 5.04 50
  42 17.08 171
  43 2.78 28
  44 0.57 6
  45 0.67 7
  46 0.51 5
  47 0.57 6
  50 2.57 26
  51 5.66 57
  52 3.09 31
  53 17.08 171
  54 19.34 193
  55 32.15 322
  56 2.01 20
  62 0.77 8
  63 1.75 18
  65 4.37 44
  66 3.86 39
  67 33.69 337
  68 37.8 378
  69 2.16 22
  77 6.28 63
  78 1.59 16
  79 11.57 116
  80 2.06 21
  81 99.99 999
  82 6.79 68
  91 1.65 17
  93 0.93 9
  95 7.05 71
  96 33.69 337
  97 2.93 29
//