ACCESSION: MSBNK-EPA-ENTACT_AGILENT000214
RECORD_TITLE: Tetraethylenepentamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tetraethylenepentamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₂₃N₅
CH$EXACT_MASS: 189.1953457707
CH$SMILES: NCCNCCNCCNCCN
CH$IUPAC: InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
CH$LINK: CAS 112-57-2
CH$LINK: INCHIKEY FAGUFWYHJQFNRV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8197

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$FOCUSED_ION: PRECURSOR_M/Z 190.2026222224
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000l-9300000000-b5575be12aa1eff6d370
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  44.049476 59.413756 593
  56.049476 7.442856 74
  58.065126 4.964093 49
  61.076025 1.00527 10
  70.065126 12.468933 124
  84.0682 2.520956 25
  84.080776 10.556511 105
  85.076025 1.795344 17
  87.091675 99.999997 999
  104.118224 10.786583 107
  113.107325 38.502808 384
  130.133874 17.545908 175
  190.202622 1.865567 18
//