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MassBank Record: KO002925

D-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: KO002925
RECORD_TITLE: D-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 G006

CH$NAME: D-Gln
CH$NAME: D-2-Aminoglutaramic acid
CH$NAME: D-Glutamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10N2O3
CH$EXACT_MASS: 146.06914
CH$SMILES: NC(=O)CCC(N)C(O)=O
CH$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-/m1/s1
CH$LINK: CAS 5959-95-5
CH$LINK: CHEBI 17061
CH$LINK: CHEMPDB DGN
CH$LINK: KEGG C00819
CH$LINK: NIKKAJI J9.211H
CH$LINK: PUBCHEM SID:4077
CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N
CH$LINK: COMPTOX DTXSID6046345

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$SPLASH: splash10-001i-9500000000-3796f4ab6574acc38758
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  72.200 9901.0 1
  73.900 54455.5 1
  83.400 188119.0 3
  84.200 55747580.5 999
  88.200 49505.0 1
  102.000 633664.0 11
  111.900 49505.0 1
  115.000 29703.0 1
  118.400 24752.5 1
  128.700 79208.0 1
  130.000 35678253.5 639
  147.100 99010.0 2
  168.600 29703.0 1
//

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