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MassBank Record: MSBNK-RIKEN_ReSpect-PS075607

Tartrate, 1,2-Dihydroxyethane-1,2-dicarboxylic acid, (2R,3R)-(+)-Tartaric acid, 2,3-Dihydroxybutanedioic acid, L-Threaric acid, L(+)-Tartaric acid, Dextrotartaric acid, L(+)-2,3-Dihydroxysuccinic Acid; LC-ESI-QQ; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PS075607
RECORD_TITLE: Tartrate, 1,2-Dihydroxyethane-1,2-dicarboxylic acid, (2R,3R)-(+)-Tartaric acid, 2,3-Dihydroxybutanedioic acid, L-Threaric acid, L(+)-Tartaric acid, Dextrotartaric acid, L(+)-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 Wako, 203-00052 .
COMMENT: PRIMe compound in-house ID S0160
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$NAME: Tartrate
CH$NAME: 1,2-Dihydroxyethane-1,2-dicarboxylic acid
CH$NAME: (2R,3R)-(+)-Tartaric acid
CH$NAME: 2,3-Dihydroxybutanedioic acid
CH$NAME: L-Threaric acid
CH$NAME: L(+)-Tartaric acid
CH$NAME: Dextrotartaric acid
CH$NAME: L(+)-2,3-Dihydroxysuccinic Acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Tartaric acid
CH$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 87-69-4
CH$LINK: KEGG C00898
CH$LINK: PUBCHEM CID:444305
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 149.06

PK$SPLASH: splash10-0002-0900000000-c3869eebb8a9bf5050e4
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  148.0 21625.0 117
  149.0 185030.0 999
//

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