ACCESSION: MSBNK-EPA-ENTACT_AGILENT000647
RECORD_TITLE: Diisopropanolamine; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Diisopropanolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₅NO₂
CH$EXACT_MASS: 133.1102787305
CH$SMILES: CC(O)CNCC(C)O
CH$IUPAC: InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
CH$LINK: CAS 110-97-4
CH$LINK: INCHIKEY LVTYICIALWPMFW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8086

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 10

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$SPLASH: splash10-000t-9700000000-9da810931cee1cd5897a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.038577 11.660123 116
  42.033826 2.08703 20
  43.054227 4.681308 46
  56.049476 5.411512 54
  58.065126 8.676358 86
  59.049141 5.049104 50
  70.065126 5.035039 50
  81.069877 1.996875 19
  98.096426 100.000003 999
  99.104251 6.577526 65
  116.10699 34.17743 341
  117.114816 2.220612 22
  134.117555 81.978043 818
//