MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001554

CYCLOHEPTATRIENE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
//

Imprint Feedback
system version 2.2.7

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Hannes Bohring

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo