MassBank Record: PR100880



 D-Tartaric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100880
RECORD_TITLE: D-Tartaric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-Tartaric acid CH$NAME: D-Tartrate CH$NAME: D-Threaric acid CH$NAME: (2S,3S)-(?)-Tartaric acid CH$NAME: 2,3-Dihydroxybutanedioic Acid CH$NAME: D(-)-2,3-Dihydroxysuccinic Acid CH$COMPOUND_CLASS: Aldaric acids CH$FORMULA: C4H6O6 CH$EXACT_MASS: 150.01644 CH$SMILES: OC(=O)[C@@H](O)[C@H](O)C(O)=O CH$IUPAC: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 CH$LINK: CAS 147-71-7 CH$LINK: CHEMSPIDER 388726 CH$LINK: KEGG C02107 CH$LINK: PUBCHEM CID:439655 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-LWMBPPNESA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 149.00864 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
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 74 148.9030 5.961 178 149.0086 33.43 999 //