ACCESSION: MSBNK-Keio_Univ-KO002928
RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-053r-9000000000-d9b3d51db2e7a344da6b
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  41.100 267327.0 192
  54.900 59406.0 43
  56.200 1069308.0 768
  65.700 19802.0 14
  84.100 1391090.5 999
//