ACCESSION: MSBNK-Keio_Univ-KO004116
RECORD_TITLE: Triethanolamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T022

CH$NAME: Triethanolamine
CH$NAME: Trolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₅NO₃
CH$EXACT_MASS: 149.10519
CH$SMILES: OCCN(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$LINK: CHEBI 28621
CH$LINK: KEGG C06771
CH$LINK: NIKKAJI J805B
CH$LINK: PUBCHEM SID:8991
CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021392

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-006w-9000000000-d387d0ee743aefe8efec
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.000 217822.0 77
  42.200 618812.5 218
  44.200 1282179.5 452
  45.100 2831686.0 999
  55.200 267327.0 94
  56.100 148515.0 52
  58.300 49505.0 17
  68.000 465347.0 164
  70.200 1420793.5 501
  73.800 74257.5 26
  78.800 9901.0 3
  79.900 24752.5 9
  88.200 69307.0 24
//