ACCESSION: MSBNK-RIKEN_ReSpect-PS020902
RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; 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, G7879.
COMMENT: PRIMe compound in-house ID 209
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$NAME: Robison ester
CH$NAME: D(+)-Glucopyranose 6-phosphate sodium salt
CH$NAME: G6P
CH$NAME: Glc-6P
CH$NAME: D-Glucose-6-phosphate sodium salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Glucose phosphate
CH$FORMULA: C₆H₁₃O₉P
CH$EXACT_MASS: 260.137
CH$SMILES: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
CH$LINK: CAS 56-73-5
CH$LINK: KEGG C00092
CH$LINK: PUBCHEM CID:5958
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-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 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 261.26

PK$SPLASH: splash10-004j-8900000000-23b5d6e647d925564f7d
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  40.0 2547.0 55
  73.0 2337.0 51
  84.0 5718.0 124
  85.0 2141.0 46
  98.0 3170.0 69
  99.0 37090.0 803
  109.0 5296.0 115
  126.0 6797.0 147
  127.0 46159.0 999
  243.0 2040.0 44
//