ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001554
RECORD_TITLE: CYCLOHEPTATRIENE; 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$NAME: CYCLOHEPTATRIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈
CH$EXACT_MASS: 92.06260
CH$SMILES: C(C=1)C=CC=CC1
CH$IUPAC: InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
CH$LINK: INCHIKEY CHVJITGCYZJHLR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5073909

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$SPLASH: splash10-0006-9000000000-0aef34a2a88c90bb79c6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.15 12
  27 4.27 43
  37 1.96 20
  38 4.48 45
  39 19.16 192
  40 2.9 29
  41 1.94 19
  43 1.19 12
  45 2.54 25
  45.5 1.18 12
  46 1.54 15
  50 4.03 40
  51 6.94 69
  52 2.2 22
  53 1.85 19
  61 2.04 20
  62 4 40
  63 8.94 89
  64 2.03 20
  65 20 200
  66 3.57 36
  77 1.97 20
  79 1.3 13
  89 3.77 38
  90 1.58 16
  91 99.99 999
  92 49.44 494
  93 3.81 38
//