MassBank Record: KO002921



 D-Glu; 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: KO002921
RECORD_TITLE: D-Glu; 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 G005

CH$NAME: D-Glu CH$NAME: D-2-Aminoglutaric acid CH$NAME: D-Glutamate CH$NAME: D-Glutaminic acid CH$NAME: D-Glutamic acid CH$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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-407a30a35de9c1cceb3a PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 41.000 212871.5 9 43.200 59406.0 3 55.300 24752.5 1 56.200 1757427.5 78 57.100 163366.5 7 58.100 34653.5 2 66.900 89109.0 4 69.900 34653.5 2 71.000 113861.5 5 73.900 118812.0 5 74.600 19802.0 1 79.700 19802.0 1 84.100 22584181.0 999 84.900 876238.5 39 88.100 34653.5 2 95.200 59406.0 3 102.200 797030.5 35 112.000 59406.0 3 113.100 94059.5 4 130.500 24752.5 1 //