MassBank MassBank Search Contents Download

MassBank Record: MSBNK-RIKEN_ReSpect-PT210520

D-tartaric acid, (2S,3S)-2,3-dihydroxybutanedioic acid, 2,3-Dihydroxybutanedioic Acid, D-Tartrate, D-Threaric acid, (2S,3S)-(?)-Tartaric acid, D(-)-2,3-Dihydroxysuccinic Acid; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT210520
RECORD_TITLE: D-tartaric acid, (2S,3S)-2,3-dihydroxybutanedioic acid, 2,3-Dihydroxybutanedioic Acid, D-Tartrate, D-Threaric acid, (2S,3S)-(?)-Tartaric acid, D(-)-2,3-Dihydroxysuccinic Acid; LC-ESI-QTOF; MS2
DATE: 2008.07.29
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-tartaric acid
CH$NAME: (2S,3S)-2,3-dihydroxybutanedioic 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: INCHIKEY FEWJPZIEWOKRBE-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 149.00864

PK$SPLASH: splash10-000b-7900000000-726ac5a26ac0040576be
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  59.0158 2.849 85
  72.9935 10.11 302
  74.9899 1.987 59
  87.0094 21.79 651
  103.0044 2.898 87
  104.9287 2.48 74
  148.903 5.961 178
  149.0086 33.43 999
//

Imprint Feedback
system version 2.2
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo