ACCESSION: MSBNK-EPA-ENTACT_AGILENT000679
RECORD_TITLE: N,N-Diethylethanolamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N-Diethylethanolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₅NO
CH$EXACT_MASS: 117.1153641082
CH$SMILES: CCN(CCO)CC
CH$IUPAC: InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
CH$LINK: CAS 100-37-8
CH$LINK: INCHIKEY BFSVOASYOCHEOV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7497

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$FOCUSED_ION: PRECURSOR_M/Z 118.1226405599
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-006x-9200000000-db3be688c899454bcffd
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  44.049476 100.000002 999
  45.033491 44.090821 440
  46.065126 8.105688 80
  56.049476 1.060339 10
  58.065126 12.421142 124
  70.065126 3.15007 31
  72.080776 70.655935 705
  74.096426 22.184932 221
  100.112076 45.093839 450
  118.122641 27.209519 271
//