MassBank Record: KO002919



 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: KO002919
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-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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-c7d42b011a328bb7991d PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 68.800 29703.0 1 70.700 74257.5 2 74.000 341584.5 8 74.800 336634.0 7 75.800 69307.0 2 81.200 59406.0 1 84.100 2990102.0 66 85.100 84158.5 2 87.800 103960.5 2 88.200 168317.0 4 95.000 39604.0 1 97.700 24752.5 1 98.900 113861.5 3 102.100 5396045.0 119 112.000 257426.0 6 113.200 1767328.5 39 116.100 138614.0 3 130.000 11450506.5 252 131.200 2737626.5 60 148.000 45351530.5 999 //