ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002569
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-44611647c11b54cc181f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  12 1.96 20
  13 1.3 13
  14 6.3 63
  15 1.22 12
  26 1.33 13
  27 1.26 13
  38 10.51 105
  39 18.35 184
  40 52.89 529
  41 99.99 999
  42 2.61 26
//