MassBank Record: KNA00068



 L-Glutamine; LC-ESI-ITFT; MS2; m/z:148.08; POS 
Mass Spectrum
Chemical Structure


ACCESSION: KNA00068
RECORD_TITLE: L-Glutamine; LC-ESI-ITFT; MS2; m/z:148.08; POS
DATE: 2016.01.19 (Created 2009.11.17, modified 2011.08.03)
AUTHORS: Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST
LICENSE: CC BY-SA

CH$NAME: L-Glutamine CH$NAME: L-2-Aminoglutaramic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H10N2O3 CH$EXACT_MASS: 146.06914 CH$SMILES: NC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 CH$LINK: CAS 56-85-9 CH$LINK: CHEBI 18050 CH$LINK: KEGG C00064 CH$LINK: KNAPSACK C00001359 CH$LINK: NIKKAJI J9.170G CH$LINK: PUBCHEM 3364
AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: COLUMN_NAME TOSOH TSKgel ODS-100V 5um Part no. 21456 AC$CHROMATOGRAPHY: FLOW_GRADIENT 0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile) AC$CHROMATOGRAPHY: FLOW_RATE 0.5 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 4.685623 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 131.011551 MS$FOCUSED_ION: PRECURSOR_M/Z 148.08
PK$SPLASH: splash10-001i-0900000000-dc8def340a2655f9a399 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 75.141113 2.846447 1 83.980331 12.902168 3 85.080811 24.348682 6 90.113998 3.495294 1 100.993912 15.910106 4 102.032593 89.660828 23 130.008881 403.878937 102 131.011551 3944.555908 999 139.045059 1.982511 1 //