ACCESSION: MSBNK-EPA-ENTACT_AGILENT002076
RECORD_TITLE: 1,4-Diazabicyclo[2.2.2]octane; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-052f-9000000000-a82c5db7771fe55cfc38
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  28.018175 2.692014 26
  29.038577 1.04522 10
  30.033826 2.089345 20
  39.022927 6.249397 62
  41.026001 7.572825 75
  41.038577 25.717195 256
  42.033826 100 999
  43.041651 2.456302 24
  43.054227 11.810454 117
  44.049476 34.007182 339
  53.038577 2.822178 28
  54.033826 3.676944 36
  55.041651 8.838926 88
  56.049476 83.868665 837
  57.057301 2.004742 20
  58.065126 15.872798 158
  67.041651 1.647011 16
  67.054227 1.083458 10
  68.049476 8.217308 82
  69.044725 2.200541 21
  69.057301 1.313258 13
  70.065126 37.798662 377
  72.080776 1.932985 19
  82.065126 2.125818 21
  83.060375 21.843386 218
  84.0682 9.16986 91
  84.080776 27.949998 279
  97.076025 3.786237 37
  98.08385 2.764467 27
  113.107325 21.362552 213
//