MassBank Record: KO001308



 Malic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001308
RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M002

CH$NAME: Malate CH$NAME: L-Apple acid CH$NAME: L-Malate CH$NAME: (S)-Malate CH$NAME: L-2-Hydroxybutanedioic acid CH$NAME: L-Malic acid CH$NAME: Malic acid CH$COMPOUND_CLASS: N/A 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-/m0/s1 CH$LINK: CAS 97-67-6 CH$LINK: CHEBI 30797 CH$LINK: KEGG C00149 CH$LINK: NIKKAJI J74.430A CH$LINK: PUBCHEM SID:3449
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-424bd54bc81a9db65a55 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 27.100 34653.5 28 41.000 158416.0 129 43.200 613862.0 502 45.000 158416.0 129 57.000 9901.0 8 59.300 163366.5 133 70.900 1222773.5 999 73.200 722773.0 591 92.300 14851.5 12 114.700 19802.0 16 //