ACCESSION: MSBNK-EPA-ENTACT_AGILENT002075
RECORD_TITLE: 1,4-Diazabicyclo[2.2.2]octane; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,4-Diazabicyclo[2.2.2]octane
CH$NAME: DTXSID0022016
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂N₂
CH$EXACT_MASS: 112.1000483976
CH$SMILES: C1CN2CCN1CC2
CH$IUPAC: InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
CH$LINK: CAS 280-57-9
CH$LINK: INCHIKEY IMNIMPAHZVJRPE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9237

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$FOCUSED_ION: PRECURSOR_M/Z 113.1073248493
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-3900000000-d8ed1851d457db09c756
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  42.033826 2.694121 26
  43.054227 1.637179 16
  44.049476 1.470655 14
  56.049476 9.841589 98
  58.065126 4.154375 41
  70.065126 6.59511 65
  84.0682 2.605865 26
  84.080776 9.570157 95
  113.107325 99.999999 999
//