ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001696
RECORD_TITLE: PROPIONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0fb9-9000000000-63d7383e13ee067cb1c2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 4.61 46
  25 1.4 14
  26 14.02 140
  27 12.88 129
  28 99.99 999
  29 3.14 31
  31 1.74 17
  37 1.07 11
  38 2 20
  39 2.54 25
  40 4.34 43
  41 3.81 38
  50 1.27 13
  51 7.74 77
  52 10.68 107
  53 7.21 72
  54 71.63 716
  55 11.42 114
//