ACCESSION: MSBNK-EPA-ENTACT_AGILENT000120
RECORD_TITLE: Triisopropanolamine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-052b-9300000000-c7526365258194e021a7
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  31.017841 1.232759 12
  41.038577 12.805905 127
  42.033826 3.62717 36
  43.054227 6.581628 65
  44.049476 1.180509 11
  55.054227 9.631373 96
  56.049476 9.26698 92
  58.065126 6.610022 66
  59.049141 36.362795 363
  59.072951 1.34341 13
  68.049476 1.251741 12
  69.069877 4.481062 44
  70.065126 8.569294 85
  74.06004 1.068677 10
  79.054227 2.181803 21
  81.069877 7.962334 79
  86.06004 2.084741 20
  96.080776 4.340555 43
  98.096426 99.999997 999
  98.130131 4.153197 41
  98.153941 2.971842 29
  112.112076 1.61764 16
  114.09134 6.106221 61
  116.10699 18.746523 187
  130.122641 1.242957 12
  134.117555 1.595902 15
  138.127726 2.84369 28
  156.138291 19.049093 190
  174.148855 37.704353 376
  192.15942 10.878462 108
//