ACCESSION: MSBNK-EPA-ENTACT_AGILENT002442
RECORD_TITLE: 1,6-Hexanediamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,6-Hexanediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₆N₂
CH$EXACT_MASS: 116.1313485252
CH$SMILES: NCCCCCCN
CH$IUPAC: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
CH$LINK: CAS 124-09-4
CH$LINK: INCHIKEY NAQMVNRVTILPCV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16402

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$FOCUSED_ION: PRECURSOR_M/Z 117.1386249769
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9100000000-8e8300902110ebee6535
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  30.033826 3.113039 31
  39.022927 1.819308 18
  41.038577 7.448749 74
  44.049476 1.060212 10
  55.054227 99.999998 999
  83.085527 5.825667 58
  100.112076 21.151119 211
//