ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004298
RECORD_TITLE: 1,4-BUTANEDICARBONITRILE; 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$NAME: 1,4-BUTANEDICARBONITRILE
CH$NAME: HEXANEDINITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈N₂
CH$EXACT_MASS: 108.06875
CH$SMILES: N#CCCCCC#N
CH$IUPAC: InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
CH$LINK: CAS 111-69-3
CH$LINK: INCHIKEY BTGRAWJCKBQKAO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021936

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$SPLASH: splash10-0006-9000000000-811971dea62fd0719211
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 1.53 15
  26 2.86 29
  27 7.8 78
  28 7.31 73
  29 1.04 10
  37 2.02 20
  38 3.2 32
  39 16.85 169
  40 5.57 56
  41 99.99 999
  42 6.82 68
  43 4.81 48
  44 2.79 28
  50 1.95 20
  51 3.83 38
  52 6.69 67
  53 5.22 52
  54 40.53 405
  55 18.66 187
  64 1.53 15
  66 3.48 35
  67 2.44 24
  68 41.16 412
  69 2.86 29
  70 1.53 15
  77 1.53 15
  80 2.44 24
  105 1.53 15
  106 1.04 10
  107 2.09 21
  108 1 10
  109 2.86 29
//