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MassBank Record: PT202000

(R)-(+)-2-Hydroxysuccinic acid, D-(+)-Malic acid, (2R)-2-hydroxybutanedioic acid, D-Hydroxybutanedioic acid; LC-ESI-QTOF; MS2

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

ACCESSION: PT202000
RECORD_TITLE: (R)-(+)-2-Hydroxysuccinic acid, D-(+)-Malic acid, (2R)-2-hydroxybutanedioic acid, D-Hydroxybutanedioic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: (R)-(+)-2-Hydroxysuccinic acid
CH$NAME: D-(+)-Malic acid
CH$NAME: (2R)-2-hydroxybutanedioic acid
CH$NAME: D-Hydroxybutanedioic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Malic acid
CH$FORMULA: C4H6O5
CH$EXACT_MASS: 134.087
CH$SMILES: C(C(C(=O)O)O)C(=O)O
CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
CH$LINK: CAS 636-61-3
CH$LINK: INCHIKEY BJEPYKJPYRNKOW-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 133.01372

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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