ACCESSION: MSBNK-EPA-ENTACT_AGILENT000681
RECORD_TITLE: N,N-Diethylethanolamine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0007-9000000000-2b8c58cb8fa9568a44fc
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  29.002191 1.088045 10
  29.038577 3.716351 37
  30.033826 3.523241 35
  41.038577 1.231451 12
  42.033826 11.841883 118
  43.017841 6.484343 64
  44.049476 100.000002 999
  45.033491 66.114741 660
  45.057301 1.199293 11
  46.065126 1.345647 13
  56.049476 2.111011 21
  58.065126 41.821396 417
  65.038577 1.328289 13
  70.065126 2.137765 21
  72.080776 3.049376 30
//