ACCESSION: MSBNK-RIKEN_ReSpect-PS079904
RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Wako, 145-05605 .
COMMENT: PRIMe compound in-house ID S0230
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

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: 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: KEGG C06771
CH$LINK: PUBCHEM CID:7618
CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 150.17

PK$SPLASH: splash10-0007-9000000000-3eeeeddeb7df95b52165
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  28.0 3335.0 76
  29.0 4178.0 95
  41.0 11920.0 272
  42.0 18696.0 427
  43.0 7129.0 163
  44.0 39818.0 909
  45.0 43751.0 999
  69.0 8679.0 198
  70.0 29426.0 672
  88.0 8257.0 189
//