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MassBank Record: PS020401

Ara-5P, D-Arabinose-5-phosphate disodium salt; LC-ESI-QQ; MS2

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

ACCESSION: PS020401
RECORD_TITLE: Ara-5P, D-Arabinose-5-phosphate disodium 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, A2013.
COMMENT: PRIMe compound in-house ID 204
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$NAME: Ara-5P
CH$NAME: D-Arabinose-5-phosphate disodium salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Arabinose phosphate
CH$FORMULA: C5H11O8P
CH$EXACT_MASS: 230.111
CH$SMILES: C(C(C(C(C=O)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)
CH$LINK: CAS 13137-52-5
CH$LINK: KEGG C01112
CH$LINK: PUBCHEM CID:230
CH$LINK: INCHIKEY PPQRONHOSHZGFQ-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 231.19

PK$SPLASH: splash10-03di-0090000000-840aeb4d46b5aae2c1f1
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  97.0 3675.0 37
  99.0 4006.0 40
  114.0 5128.0 52
  212.0 17382.0 175
  213.0 99208.0 999
//

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