MassBank Record: PS098005

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

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

ACCESSION: PS098005
RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; 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 TCI, P0279.
COMMENT: PRIMe compound in-house ID N0038
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$NAME: O-Phosphorylethanolamine
CH$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$LINK: KEGG C00346
CH$LINK: PUBCHEM CID:1015
CH$LINK: INCHIKEY SUHOOTKUPISOBE-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 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 142.11

PK$SPLASH: splash10-03di-0900000000-25c00a27caea2e28209c
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  112.0 251165.0 999
//