ACCESSION: MSBNK-RIKEN_ReSpect-PS031601
RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; 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 SIGMA, P0878.
COMMENT: PRIMe compound in-house ID 316
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$NAME: Dexfosfoserine
CH$NAME: Ser(P)
CH$NAME: Serine phosphate
CH$NAME: o-Phospho-L-serine
CH$NAME: L-2-Amino-3-hydroxypropanoic acid 3-phosphate
CH$NAME: Plasmenylserine
CH$NAME: L-SOP
CH$NAME: L-Serine O-phosphate
CH$NAME: 3-phosphoserine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C₃H₈NO₆P
CH$EXACT_MASS: 185.074
CH$SMILES: C(C(C(=O)O)N)OP(=O)(O)O
CH$IUPAC: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
CH$LINK: CAS 407-41-0
CH$LINK: KEGG C01005
CH$LINK: PUBCHEM CID:68841
CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 186.14

PK$SPLASH: splash10-000i-7900000000-66ac225719209829bc6a
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  87.0 31937.0 152
  88.0 163639.0 779
  185.0 27543.0 131
  186.0 209856.0 999
//