ACCESSION: MSBNK-EPA-ENTACT_AGILENT000984
RECORD_TITLE: 3,3'-Iminobispropanenitrile; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-001i-9000000000-a47002294bd127f198a0
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  42.033826 11.985599 119
  54.033826 7.460923 74
  83.060375 99.999998 999
  124.086924 5.358272 53
//