ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000918
RECORD_TITLE: 4-PENTENENITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KAMEOKA H, DEPT. OF APPLIED CHEMISTRY, FAC. OF SCI. AND ENGINEERING, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-PENTENENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇N
CH$EXACT_MASS: 81.05785
CH$SMILES: C=CCCC#N
CH$IUPAC: InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2
CH$LINK: INCHIKEY CFEYBLWMNFZOPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027228

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0f7x-9000000000-dae056a0485d22dde566
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  39 80 800
  40 23 230
  41 99.99 999
  50 2 20
  51 26 260
  52 26 260
  53 40 400
  54 7.4 74
  81 63 630
  82 6 60
//