ACCESSION: MSBNK-EPA-ENTACT_AGILENT000118
RECORD_TITLE: Triisopropanolamine; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Triisopropanolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₁NO₃
CH$EXACT_MASS: 191.1521435442
CH$SMILES: CC(O)CN(CC(C)O)CC(C)O
CH$IUPAC: InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3
CH$LINK: CAS 122-20-3
CH$LINK: INCHIKEY SLINHMUFWFWBMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:24730

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$FOCUSED_ION: PRECURSOR_M/Z 192.1594199959
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0900000000-1157cc99a38eba3e5626
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  59.049141 2.515692 25
  98.096426 9.938767 99
  116.10699 4.62406 46
  156.138291 8.861902 88
  174.148855 45.744579 456
  192.15942 99.999996 999
//