ACCESSION: MSBNK-EPA-ENTACT_AGILENT000119
RECORD_TITLE: Triisopropanolamine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-492981147e6c835264c0
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  31.017841 9.087207 90
  39.022927 8.416878 84
  41.038577 100.000002 999
  41.059706 3.399872 33
  42.033826 15.044543 150
  43.017841 3.49412 34
  43.041651 1.105275 11
  43.054227 19.323207 193
  44.049476 2.625809 26
  53.038577 2.176577 21
  54.033826 1.160068 11
  55.054227 5.638647 56
  56.049476 18.900623 188
  57.057301 1.865432 18
  58.065126 9.878726 98
  59.049141 44.217127 441
  59.072951 1.398473 13
  68.049476 6.207984 62
  69.069877 1.467441 14
  70.065126 16.311762 162
  72.080776 1.290564 12
  77.038577 1.276226 12
  79.054227 4.538326 45
  80.049476 1.079921 10
  81.057301 1.185378 11
  81.069877 2.740941 27
  82.065126 2.661985 26
  83.072951 1.169806 11
  84.080776 1.295592 12
  94.065126 1.128077 11
  96.080776 1.607506 16
  98.096426 10.657257 106
//