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MassBank Record: PS031604

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

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

ACCESSION: PS031604
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 40

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

PK$SPLASH: splash10-000f-9000000000-62123361b4c1772cf8d0
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.0 10670.0 205
  42.0 51974.0 999
  43.0 1713.0 33
  69.0 4598.0 88
  70.0 13885.0 267
  85.0 1803.0 35
  86.0 3360.0 65
  87.0 12908.0 248
  88.0 17393.0 334
  185.0 6439.0 124
//

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