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MassBank Record: PR100763

L-(+)-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)

ACCESSION: PR100763
RECORD_TITLE: L-(+)-tartaric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2010.06.21, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L(+)-Tartaric acid
CH$NAME: Tartrate
CH$NAME: L-Threaric acid
CH$NAME: (2R,3R)-(+)-Tartaric acid
CH$NAME: 2,3-Dihydroxybutanedioic acid
CH$NAME: L(+)-2,3-Dihydroxysuccinic Acid
CH$NAME: Dextrotartaric acid
CH$NAME: 1,2-Dihydroxyethane-1,2-dicarboxylic acid
CH$NAME: L-(+)-tartaric acid
CH$COMPOUND_CLASS: Carboxylic acids
CH$FORMULA: C4H6O6
CH$EXACT_MASS: 150.01644
CH$SMILES: OC(=O)C(O)C(O)C(O)=O
CH$IUPAC: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
CH$LINK: CAS 87-69-4
CH$LINK: CHEMSPIDER 392277
CH$LINK: KEGG C00898
CH$LINK: KNAPSACK C00001206
CH$LINK: PUBCHEM CID:444305
CH$LINK: INCHIKEY FEWJPZIEWOKRBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5046986

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 A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

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

PK$SPLASH: splash10-0002-5900000000-4c66eac9e5850c5fcbe4
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  72.9936 17 274
  87.0099 32.5 523
  148.8990 12.37 199
  149.0086 62.04 999
//

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