ACCESSION: MSBNK-EPA-ENTACT_AGILENT000027
RECORD_TITLE: Ethyl diethanolamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ethyl diethanolamine
CH$NAME: DTXSID8041955
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₅NO₂
CH$EXACT_MASS: 133.1102787305
CH$SMILES: CCN(CCO)CCO
CH$IUPAC: InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3
CH$LINK: CAS 139-87-7
CH$LINK: INCHIKEY AKNUHUCEWALCOI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8769

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$FOCUSED_ION: PRECURSOR_M/Z 134.1175551822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00dm-9200000000-b02eeea54cbe65fe9826
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41.038577 1.937849 19
  42.033826 10.279704 102
  43.054227 2.691029 26
  44.049476 88.676924 885
  44.083181 1.672326 16
  45.033491 84.934368 848
  45.057301 5.970462 59
  45.069877 2.249839 22
  46.041316 1.835331 18
  46.065126 1.26587 12
  56.049476 4.949086 49
  57.057301 1.310102 13
  58.065126 5.422416 54
  60.04439 1.581034 15
  68.049476 1.160302 11
  70.065126 29.997789 299
  71.072951 1.511364 15
  72.080776 100.000004 999
  72.114481 4.153131 41
  73.088601 4.30462 43
  74.06004 1.288121 12
  79.017841 1.950021 19
  86.096426 1.183471 11
  88.07569 11.906359 118
  90.09134 7.556183 75
  98.096426 2.093184 20
  102.09134 25.61912 255
  116.10699 40.397672 403
  117.114816 2.868617 28
  134.117555 22.929338 229
//