ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008242
RECORD_TITLE: 3,3'-IMINODIPROPIONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 3,3'-IMINODIPROPIONITRILE
CH$NAME: BIS(2-CYANOETHYL)AMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H9N3
CH$EXACT_MASS: 123.07965
CH$SMILES: N#CCCNCCC#N
CH$IUPAC: InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
CH$LINK: CAS 111-94-4
CH$LINK: INCHIKEY SBAJRGRUGUQKAF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2041464
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000x-9000000000-e9c221f8d5ab005e7243
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 3.39 34
  26 4.62 46
  27 10.26 103
  28 30.58 306
  29 5.27 53
  30 17.54 175
  38 0.61 6
  39 2.08 21
  40 6.1 61
  41 7.56 76
  42 99.99 999
  43 12.7 127
  51 1.36 14
  52 6.09 61
  53 1.98 20
  54 52.34 523
  55 4.2 42
  56 5.89 59
  57 1.12 11
  66 1.16 12
  67 0.93 9
  81 5.81 58
  82 2.32 23
  83 85.92 859
  84 5.21 52
  123 0.56 6
//
