ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008859
RECORD_TITLE: CYCLOHEPTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: C(C1)CCC=CC1
CH$IUPAC: InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2
CH$LINK: INCHIKEY ZXIJMRYMVAMXQP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4074560

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0gb9-9000000000-e6bbb469d3fdcc39a452
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 20.46 205
  28 2.82 28
  29 18.79 188
  39 39.14 391
  40 7.72 77
  41 27.66 277
  42 7.52 75
  50 2.61 26
  51 5.22 52
  52 2.61 26
  53 20.25 203
  54 97.6 976
  55 56.37 564
  56 5.74 57
  65 6.78 68
  66 8.77 88
  67 99.99 999
  68 58.56 586
  69 5.32 53
  70 2.92 29
  77 6.68 67
  79 11.06 111
  81 70.98 710
  82 5.22 52
  91 9.5 95
  92 5.22 52
  95 7.62 76
  96 57.41 574
  97 5.11 51
//