ACCESSION: MSBNK-EPA-ENTACT_AGILENT000082
RECORD_TITLE: 1,2-Cyclohexanediamine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0a4l-9000000000-31bc49b045873d4bb588
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  28.018175 1.825137 18
  30.033826 10.663509 106
  30.046402 2.037422 20
  39.022927 17.998768 179
  41.038577 79.320146 792
  44.049476 13.704963 136
  44.062052 3.525524 35
  51.022927 19.695408 196
  53.038577 40.77268 407
  54.033826 5.872408 58
  55.041651 4.256938 42
  55.054227 25.411817 253
  55.122975 1.443927 14
  56.049476 100.000003 999
  66.046402 26.116205 260
  67.054227 4.755604 47
  68.049476 5.929415 59
  70.065126 4.343689 43
  77.038577 30.079273 300
  79.054227 26.900777 268
  80.049476 8.706664 86
  81.069877 7.326077 73
  98.096426 5.074252 50
//