MassBank Record: KO002748



 (2R,3S)-2,3-Dimethylmalate; 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: KO002748
RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D083

CH$NAME: Dimethyl malate CH$NAME: (2R,3S)-2,3-Dimethylmalate CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10O5 CH$EXACT_MASS: 162.05282 CH$SMILES: OC(=O)C(C)C(C)(O)C(O)=O CH$IUPAC: InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/t3-,6-/m1/s1 CH$LINK: CHEBI 15582 CH$LINK: KEGG C03652 CH$LINK: PUBCHEM SID:6432
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0229-9100000000-bc1a9492da80bad04106 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 43.000 173267.5 178 44.800 79208.0 82 52.800 19802.0 20 59.000 19802.0 20 60.900 514852.0 530 67.700 84158.5 87 69.300 34653.5 36 70.900 970298.0 999 77.700 19802.0 20 82.400 69307.0 71 83.900 133663.5 138 84.900 297030.0 306 86.300 9901.0 10 99.300 64356.5 66 102.200 44554.5 46 105.900 9901.0 10 110.200 44554.5 46 113.200 183168.5 189 117.300 64356.5 66 118.000 24752.5 25 145.800 19802.0 20 //