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CYCLOPENTENE; CI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012196
RECORD_TITLE: CYCLOPENTENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOPENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈
CH$EXACT_MASS: 68.06260
CH$SMILES: C(C1)CC=C1
CH$IUPAC: InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
CH$LINK: CAS 142-29-0
CH$LINK: INCHIKEY LPIQUOYDBNQMRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6029171

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-014i-9000000000-647420acaf38d470bf4e
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  55 10.41 104
  67 35.83 358
  68 8.26 83
  69 99.99 999
  70 5.89 59
  97 4.13 41
  109 6.34 63
//

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Responsible: Tillmann G. Fischer

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