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1,6-Hexanediamine; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum

Chemical Structure

metabolomics-usi visualisation

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002443
RECORD_TITLE: 1,6-Hexanediamine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0a4u-9000000000-db7fc265aeee2e484240
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  29.038577 7.328348 73
  30.033826 9.970624 99
  39.022927 73.060418 729
  41.038577 96.357755 962
  42.033826 1.083393 10
  43.054227 6.050644 60
  44.049476 5.922002 59
  53.038577 14.604575 145
  55.054227 99.999997 999
  67.054227 1.861322 18
//

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system version 2.2.8

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.