MassBank Record: KO000819



 D-Glu; 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: KO000819
RECORD_TITLE: D-Glu; 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 G005

CH$NAME: D-Glu CH$NAME: D-Glutaminic acid CH$NAME: D-Glutamic acid CH$NAME: D-2-Aminoglutaric acid CH$NAME: D-Glutamate CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H9NO4 CH$EXACT_MASS: 147.05316 CH$SMILES: OC(=O)CC[C@@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 CH$LINK: CAS 6893-26-1 CH$LINK: CHEBI 15966 CH$LINK: CHEMPDB DGL CH$LINK: KEGG C00217 CH$LINK: NIKKAJI J9.214B CH$LINK: PUBCHEM SID:3517
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 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-ad4a2989e599a67182c0 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 59.300 14851.5 1 72.800 153465.5 1 84.300 39604.0 1 85.500 34653.5 1 100.200 29703.0 1 102.200 4584163.0 43 110.600 79208.0 1 128.000 10792090.0 101 128.600 282178.5 3 145.000 74257.5 1 145.700 16683185.0 156 146.100 107148622.0 999 //