ACCESSION: MSBNK-EPA-ENTACT_AGILENT000083
RECORD_TITLE: 1,2-Cyclohexanediamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,2-Cyclohexanediamine
CH$NAME: DTXSID0027301
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄N₂
CH$EXACT_MASS: 114.1156984614
CH$SMILES: NC1CCCCC1N
CH$IUPAC: InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
CH$LINK: CAS 694-83-7
CH$LINK: INCHIKEY SSJXIUAHEKJCMH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4610

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$FOCUSED_ION: PRECURSOR_M/Z 115.1229749131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053s-9000000000-7cdce49e5a2bf658ead4
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  30.033826 7.181644 71
  41.038577 2.853337 28
  53.038577 3.983729 39
  55.054227 5.977311 59
  56.049476 69.893599 698
  66.046402 1.077764 10
  77.038577 1.192787 11
  79.054227 16.634277 166
  81.069877 100.000003 999
  98.096426 53.690653 536
//