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ACETONITRILE; EI-B; MS

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008058
RECORD_TITLE: ACETONITRILE; 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$NAME: ACETONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₃N
CH$EXACT_MASS: 41.02655
CH$SMILES: CC#N
CH$IUPAC: InChI=1S/C2H3N/c1-2-3/h1H3
CH$LINK: INCHIKEY WEVYAHXRMPXWCK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020009

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-836514fd6b54edefa88e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  14 3.77 38
  15 1.03 10
  28 2.05 21
  38 1.03 10
  39 9.59 96
  40 38.87 389
  41 99.99 999
  42 2.74 27
//

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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.