ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008056
RECORD_TITLE: PROPIONITRILE; 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$NAME: PROPIONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₅N
CH$EXACT_MASS: 55.04220
CH$SMILES: CCC#N
CH$IUPAC: InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
CH$LINK: INCHIKEY FVSKHRXBFJPNKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021879

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$SPLASH: splash10-0fb9-9000000000-a4feb34479b12baf6f15
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  15 5.17 52
  26 7.13 71
  27 8.73 87
  28 99.99 999
  29 3.3 33
  40 2.85 29
  51 1.07 11
  52 5.35 54
  53 8.91 89
  54 85.2 852
  55 16.4 164
  56 1.07 11
//