MassBank Record: KO002945

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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)

ACCESSION: KO002945
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-Glutamine
CH$NAME: L-2-Aminoglutaramic acid
CH$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: COMPTOX DTXSID1023100
CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N
CH$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: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9400000000-44011159d50b9a91d4d5
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  55.1 44554.5 1.0
  56.3 84158.5 1.0
  71.8 39604.0 1.0
  72.8 24752.5 1.0
  74.0 54455.5 1.0
  83.0 133664.0 2.0
  84.2 5.79704E7 999.0
  85.0 272278.0 5.0
  87.1 29703.0 1.0
  88.1 59406.0 1.0
  97.5 19802.0 1.0
  101.2 1792080.0 31.0
  101.9 1311880.0 23.0
  114.9 49505.0 1.0
  115.4 9901.0 1.0
  130.1 2.86436E7 494.0
  147.1 638614.0 11.0
//