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ACCESSION
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D-(+)-Malic acid; MS2; Q-Tof; [M-H]-
2008.7.28 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PT202000 | |
RECORD_TITLE | D-(+)-Malic acid; MS2; Q-Tof; [M-H]- | |
DATE | 2008.7.28 | |
AUTHORS | Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
COPYRIGHT | Copyright(C) 2009 Plant Science Center, RIKEN | |
COMMENTS | Build 1 2009/06/24 | |
COMMENTS | Acquisition and generation of the data is financially supported in part by CREST/JST. | |
STRUCTURE_FILE_NAME | N/A | |
CH$ NAME | D-(+)-Malic acid | |
CH$ NAME | D-Hydroxybutanedioic acid | |
CH$ NAME | (R)-(+)-2-Hydroxysuccinic acid | |
CH$ NAME | (2R)-2-hydroxybutanedioic acid | |
CH$ COMPOUND_CLASS | CLASS1 | Other |
CH$ COMPOUND_CLASS | CLASS2 | Carboxylic acid |
CH$ COMPOUND_CLASS | CLASS3 | Malic acid |
CH$ FORMULA | C4H6O5 | |
CH$ EXACT_MASS | 134.09 | |
CH$ LINK | CAS | 636-61-3 |
CH$ SMILES | C(C(C(=O)O)O)C(=O)O | |
CH$ IUPAC | InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1/f/h6,8H | |
AC$ INSTRUMENT | Q-Tof Premier, Waters | |
AC$ INSTRUMENT_TYPE | N/A | |
AC$ ANALYTICAL_CONDITION | MS_TYPE | LC-Q-TOF/MS |
AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
AC$ ANALYTICAL_CONDITION | SOURCE_TEMPERATURE | 120 C |
AC$ ANALYTICAL_CONDITION | PRECURSOR_SELECTION | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_EQUIPMENT | Q |
AC$ ANALYTICAL_CONDITION | FRAGMENTATION_METHOD | LOW-ENERGY CID |
AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | Ramp 5-45 V |
AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | TOF |
AC$ ANALYTICAL_CONDITION | DATAFORMAT | Continuum |
AC$ ANALYTICAL_CONDITION | SOLVENT | CH3CN/H2O |
AC$ ANALYTICAL_CONDITION | MODE | NEGATIVE |
AC$ ANALYTICAL_CONDITION | CAPILLARY_VOLTAGE | 3.0 kV |
AC$ ANALYTICAL_CONDITION | SAMPLING_CONE | 35.0 V |
MS$ FOCUSED_ION | ION_TYPE | [M-H]- |
MS$ FOCUSED_ION | PRECURSOR_M/Z | 133.01372 |
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
529
|