MassBank Record: PR100541



 D-(+)-Malic 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: PR100541
RECORD_TITLE: D-(+)-Malic 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$NAME: D-(+)-Malic acid CH$NAME: D-Hydroxybutanedioic acid CH$NAME: (R)-(+)-2-Hydroxysuccinic acid CH$COMPOUND_CLASS: Carboxylic acids CH$FORMULA: C4H6O5 CH$EXACT_MASS: 134.02152 CH$SMILES: OC(=O)C[C@H](O)C(O)=O CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 CH$LINK: CAS 636-61-3 CH$LINK: CHEMSPIDER 83793 CH$LINK: KEGG C00497 CH$LINK: KNAPSACK C00001192 CH$LINK: PUBCHEM CID:92824 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID90892496
AC$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 133.01372 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0159-3900000000-b601107a03ca7060bc56 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 71.0146 30.89 348 72.9935 11.46 129 89.0249 5.274 59 115.0028 88.64 999 133.0137 47.01 530 //

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