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MassBank Record: PS078303

Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQ; MS2

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

ACCESSION: PS078303
RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; 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 Wako, 191-02042 .
COMMENT: PRIMe compound in-house ID S0207
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$NAME: Glycerophosphate
CH$NAME: L-Glycerol-2-phosphate Disodium Salt n-Hydrate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C3H9O6P
CH$EXACT_MASS: 172.075
CH$SMILES: C(C(CO)OP(=O)(O)O)O
CH$IUPAC: InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
CH$LINK: CAS 17181-54-3
CH$LINK: KEGG C02979
CH$LINK: PUBCHEM CID:2526
CH$LINK: INCHIKEY DHCLVCXQIBBOPH-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 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 173.1

PK$SPLASH: splash10-0002-9000000000-27293fb10cf37713d779
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  98.0 32871.0 348
  99.0 94339.0 999
//

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