MassBank Record: KO001309



 Malic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001309
RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-a916941735427ee3c48d PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 41.000 193069.5 590 43.100 326733.0 999 44.800 64356.5 197 59.200 24752.5 76 71.000 103960.5 318 72.700 94059.5 288 78.900 24752.5 76 //