ACCESSION: MSBNK-RIKEN_ReSpect-PS105207
RECORD_TITLE: D-tartaric acid, 2,3-Dihydroxybutanedioic Acid, D-Tartrate, D-Threaric acid, (2S,3S)-(?)-Tartaric acid, D(-)-2,3-Dihydroxysuccinic Acid; 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 Aldrich, T206.
COMMENT: PRIMe compound in-house ID N0110
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$NAME: D-tartaric acid
CH$NAME: 2,3-Dihydroxybutanedioic Acid
CH$NAME: D-Tartrate
CH$NAME: D-Threaric acid
CH$NAME: (2S,3S)-(?)-Tartaric acid
CH$NAME: D(-)-2,3-Dihydroxysuccinic Acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Tartalic acid
CH$FORMULA: C₄H₆O₆
CH$EXACT_MASS: 150.086
CH$SMILES: C(C(C(=O)O)O)(C(=O)O)O
CH$IUPAC: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
CH$LINK: CAS 147-71-7
CH$LINK: KEGG C02107
CH$LINK: PUBCHEM CID:439655
CH$LINK: INCHIKEY FEWJPZIEWOKRBE-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 149.09

PK$SPLASH: splash10-0002-0900000000-72693d1562263323302e
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
148.0 13542.0 72
149.0 188287.0 999
//