MassBank Record: PB000467



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

ACCESSION: PB000467
RECORD_TITLE: Glutamine; LC-ESI-QTOF; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9500000000-519ee25668806b3cf33d PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 56.051 118.000 10 84.045 10000.000 999 85.029 105.151 9 101.074 545.246 53 102.056 423.270 41 130.051 5222.408 521 147.078 222.539 21 //