ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007367
RECORD_TITLE: ALLYL CYANIDE; 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$NAME: ALLYL CYANIDE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-000f-9000000000-574ce4c69ef2a03bee74
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  14 1.11 11
  15 1.7 17
  25 1.37 14
  26 5.63 56
  27 23.83 238
  28 5.24 52
  32.5 1.63 16
  36 1.5 15
  37 10.41 104
  38 13.55 136
  39 36.53 365
  40 19.77 198
  41 99.99 999
  42 2.81 28
  50 1.37 14
  51 2.29 23
  53 7.53 75
  62 1.31 13
  63 2.94 29
  64 7.14 71
  65 2.03 20
  66 13.03 130
  67 44 440
  68 2.29 23
//