MassBank Record: KO000820



 D-Glu; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000820
RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0900000000-c449cfd2231fe941d44f PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 35.000 94059.5 2 56.200 89109.0 2 59.000 39604.0 1 70.800 19802.0 1 71.200 19802.0 1 72.900 54455.5 1 74.200 217822.0 5 82.000 49505.0 1 84.100 534654.0 12 85.100 445545.0 10 100.300 193069.5 4 101.300 391089.5 9 102.100 45425788.0 999 110.200 79208.0 2 117.900 158416.0 3 128.000 18801999.0 413 128.600 361386.5 8 146.000 8381196.5 184 //