ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007447
RECORD_TITLE: ALLYL CYANIDE; CI-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$NAME: ALLYL CYANIDE
CH$NAME: 3-BUTENENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₅N
CH$EXACT_MASS: 67.04220
CH$SMILES: C=CCC#N
CH$IUPAC: InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
CH$LINK: CAS 109-75-1
CH$LINK: INCHIKEY SJNALLRHIVGIBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021905

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-9000000000-ff910f72e8aa25ddec58
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  65 0.55 6
  67 99.99 999
  68 7.34 73
  78 0.57 6
  81 0.56 6
  108 1.41 14
//