ACCESSION: MSBNK-RIKEN_ReSpect-PT102100
RECORD_TITLE: 2-(2-hydroxyethylamino)ethanol, Diolamine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diethanolamine, Bis(2-hydroxyethyl)amine, Diethylolamine, 2-(2-Hydroxyethylamino)ethanol; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: 2-(2-hydroxyethylamino)ethanol
CH$NAME: Diolamine
CH$NAME: 2,2'-Iminodiethanol
CH$NAME: 2,2'-Dihydroxydiethylamine
CH$NAME: Diethanolamine
CH$NAME: Bis(2-hydroxyethyl)amine
CH$NAME: Diethylolamine
CH$NAME: 2-(2-Hydroxyethylamino)ethanol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C₄H₁₁NO₂
CH$EXACT_MASS: 105.137
CH$SMILES: C(CO)NCCO
CH$IUPAC: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
CH$LINK: CAS 111-42-2
CH$LINK: INCHIKEY ZBCBWPMODOFKDW-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 106.08677

PK$SPLASH: splash10-0a4i-0900000000-cd466740723ff131d76f
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  88.0778 19.4 24
  106.0293 13.52 16
  106.0868 823.8 999
//