ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007368
RECORD_TITLE: ADIPONITRILE; 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$NAME: ADIPONITRILE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0fr6-9000000000-fa4c798c5039209f7367
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 3.15 32
  26 6.57 66
  27 19.52 195
  28 10.93 109
  37 2.97 30
  38 4.13 41
  39 19.5 195
  40 8.58 86
  41 99.99 999
  42 6.31 63
  50 1.74 17
  51 4.13 41
  52 9.42 94
  53 5.28 53
  54 68.04 680
  55 38.27 383
  56 1.68 17
  64 2.93 29
  66 5.74 57
  67 3.48 35
  68 82.95 830
  69 4.04 40
  80 2.36 24
  107 1.02 10
//