MassBank Record: PT209800

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O-Phosphorylethanolamine, 2-aminoethyl dihydrogen phosphate, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT209800
RECORD_TITLE: O-Phosphorylethanolamine, 2-aminoethyl dihydrogen phosphate, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QTOF; MS2
DATE: 2008.07.29
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$NAME: O-Phosphorylethanolamine
CH$NAME: 2-aminoethyl dihydrogen phosphate
CH$NAME: Ethanolamine phospha
CH$NAME: Colaminephosphoric acid
CH$NAME: O-Phosphoethanolamine
CH$NAME: 2-Aminoethyl Dihydrogenphosphate
CH$NAME: Colamine phosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phosphate CLASS3 Ethanolamine phosphate
CH$FORMULA: C2H8NO4P
CH$EXACT_MASS: 141.065
CH$SMILES: C(COP(=O)(O)O)N
CH$IUPAC: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
CH$LINK: CAS 1071-23-4
CH$LINK: INCHIKEY SUHOOTKUPISOBE-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 NEGATIVE
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 140.01129

PK$SPLASH: splash10-004i-9100000000-b582c6b51602884756da
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  78.9599 211.4 999
  140.0113 26.07 123
//