ACCESSION: MSBNK-RIKEN_ReSpect-PS079902
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 20

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

PK$SPLASH: splash10-0udi-4900000000-a9fe67888837dbc059d1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42.0 6772.0 32
  44.0 15817.0 75
  45.0 22488.0 107
  69.0 8056.0 38
  70.0 60711.0 288
  87.0 6394.0 30
  88.0 60310.0 286
  106.0 9136.0 43
  114.0 13979.0 66
  131.0 9531.0 45
  132.0 77352.0 366
  148.0 7249.0 34
  149.0 64769.0 307
  150.0 210861.0 999
//