ACCESSION: MSBNK-EPA-ENTACT_AGILENT000982
RECORD_TITLE: 3,3'-Iminobispropanenitrile; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3,3'-Iminobispropanenitrile
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉N₃
CH$EXACT_MASS: 123.0796473093
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: PUBCHEM CID:8149

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 124.086923761
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0f7o-9000000000-f9bd7a65bfc93d58b26b
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  42.033826 99.999995 999
  42.046402 12.780146 127
  54.033826 72.165796 720
  54.046402 7.477237 74
  56.049476 3.867052 38
  83.060375 83.624019 835
  83.072951 7.994231 79
  107.047799 4.500875 44
//