ACCESSION: MSBNK-RIKEN_ReSpect-PT107990
RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, 2-(bis(2-hydroxyethyl)amino)ethanol, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 2,2',2''-Trihydroxytriethylamine
CH$NAME: (2-Hydroxyethyl)amine
CH$NAME: Daltogen
CH$NAME: Trihydroxyethylamine
CH$NAME: Tris(2-hydroxyethyl)amine
CH$NAME: Triethanolamine
CH$NAME: Triethylolamine
CH$NAME: 2-(bis(2-hydroxyethyl)amino)ethanol
CH$NAME: Trolamine
CH$NAME: 2,2',2''-Nitrilotriethanol
CH$NAME: Tri-beta-hydroxyethylamine
CH$NAME: TEA
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C₆H₁₅NO₃
CH$EXACT_MASS: 149.19
CH$SMILES: C(CO)N(CCO)CCO
CH$IUPAC: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
CH$LINK: CAS 102-71-6
CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 150.11299

PK$SPLASH: splash10-0ue9-4900000000-a63f8f03a9f4f6fe4fd5
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  70.0672 947.8 451
  88.0778 870.0 414
  114.0944 335.1 159
  132.1046 1278.0 608
  150.113 2100.0 999
//