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MassBank Record: PS022307

R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt hydrate; LC-ESI-QQ; MS2

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

ACCESSION: PS022307
RECORD_TITLE: R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt 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 SIGMA, R7750.
COMMENT: PRIMe compound in-house ID 223
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$NAME: R-5-P
CH$NAME: Rib-5P
CH$NAME: D-Ribofuranose 5-phosphate disodium salt
CH$NAME: D-Ribose-5-phosphate disodium salt hydrate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Ribose phosphate
CH$FORMULA: C5H11O8P
CH$EXACT_MASS: 230.111
CH$SMILES: C(C1C(C(C(O1)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)
CH$LINK: CAS 4300-28-1
CH$LINK: KEGG C00117
CH$LINK: PUBCHEM CID:439167
CH$LINK: INCHIKEY KTVPXOYAKDPRHY-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 229.13

PK$SPLASH: splash10-004i-0090000000-7b0e867f4c0ef8a1532e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  97.0 9626.0 67
  228.0 15310.0 107
  229.0 142703.0 999
//

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