MassBank Record: KO000844



 L-Glutamine; 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: KO000844
RECORD_TITLE: L-Glutamine; 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 G018

CH$NAME: L-Gln CH$NAME: L-2-Aminoglutaramic acid CH$NAME: L-Glutamine CH$COMPOUND_CLASS: N/A 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$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G CH$LINK: PUBCHEM SID:3364
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 145 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-2900000000-9ef33cba15869a882a74 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 42.000 336634.0 33 57.400 54455.5 5 58.200 262376.5 26 67.000 212871.5 21 69.800 54455.5 5 71.100 99010.0 10 72.900 39604.0 4 74.000 1361387.5 135 82.100 351485.5 35 83.000 103960.5 10 84.100 2262378.5 225 84.900 24752.5 2 86.100 351485.5 35 99.400 386139.0 38 101.100 1287130.0 128 101.700 49505.0 5 109.100 5920798.0 588 127.000 10059416.0 999 128.200 2792082.0 277 144.900 4475252.0 444 //