ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005432
RECORD_TITLE: ALLYLCYANIDE; 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$NAME: ALLYLCYANIDE
CH$NAME: 1-CYANO-2-PROPENE
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: INCHIKEY SJNALLRHIVGIBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021905

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$SPLASH: splash10-00kf-9000000000-c5cfb8ff062960dbe8d8
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  26 4.45 45
  27 20.37 204
  28 4.15 42
  32.5 1.23 12
  37 8.72 87
  38 12.3 123
  39 37.47 375
  40 23.71 237
  41 99.99 999
  42 2.75 28
  50 1.17 12
  51 2.28 23
  52 7.38 74
  62 1.11 11
  63 2.69 27
  64 7.14 71
  65 2.05 21
  66 15.16 152
  67 50.59 506
  68 10.42 104
//