MassBank Record: KO001307



 Malic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001307
RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9100000000-82ffef2aa053f77cdbc5 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 26.900 14851.5 3 35.400 24752.5 5 42.900 1019803.0 188 45.100 188119.0 35 59.300 316832.0 59 71.000 5405946.0 999 73.000 2178220.0 403 86.900 59406.0 11 89.200 232673.5 43 113.900 14851.5 3 114.900 1039605.0 192 132.300 34653.5 6 133.100 74257.5 14 //