MassBank Record: PB000468



 Glutamine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000468
RECORD_TITLE: Glutamine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 265
COMMENT: CONFIDENCE: confident structure

CH$NAME: Glutamine CH$NAME: 2,5-diamino-5-oxopentanoic acid CH$COMPOUND_CLASS: Natural Product; amino acid CH$FORMULA: C5H10N2O3 CH$EXACT_MASS: 146.06914 CH$SMILES: C(CC(=O)N)C(C(=O)O)N CH$IUPAC: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-UHFFFAOYSA-N CH$LINK: KEGG C00064 CH$LINK: PUBCHEM CID:738
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-379417f822aa7aaf53f7 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 41.040 258.777 24 56.051 1550.778 154 74.024 58.909 4 84.045 10000.000 999 85.029 200.809 19 102.058 146.219 13 130.051 195.827 18 //