MassBank Record: KO001305



 Malic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001305
RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-1decf12f117200e0f28d PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.000 44554.5 1 70.900 326733.0 3 73.200 277228.0 3 75.000 74257.5 1 87.300 301980.5 3 89.000 366337.0 4 97.300 148515.0 1 114.900 10980209.0 107 132.900 102069409.0 999 //