ACCESSION: MSBNK-RIKEN_ReSpect-PT110163
RECORD_TITLE: 2-Hydroxyethyl trimethylammonium, Choline chloride, Bilineurin, 2-Hydroxy-N,N,N-trimethylethanaminium, 2-hydroxyethyl-trimethylazanium, Lipotril, Hepacholine, Bilineurine; 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$NAME: 2-Hydroxyethyl trimethylammonium
CH$NAME: Choline chloride
CH$NAME: Bilineurin
CH$NAME: 2-Hydroxy-N,N,N-trimethylethanaminium
CH$NAME: 2-hydroxyethyl-trimethylazanium
CH$NAME: Lipotril
CH$NAME: Hepacholine
CH$NAME: Bilineurine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Vitamin
CH$FORMULA: C₅H₁₄NO⁺
CH$EXACT_MASS: 104.173
CH$SMILES: C[N+](C)(C)CCO
CH$IUPAC: InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
CH$LINK: CAS 62-49-7
CH$LINK: INCHIKEY OEYIOHPDSNJKLS-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 30 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M]+
MS$FOCUSED_ION: PRECURSOR_M/Z 104.10751

PK$SPLASH: splash10-0udi-5900000000-87fdeef5275a74e78348
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  58.0658 19.05 191
  60.0815 38.1 381
  104.1075 99.89 999
//