ACCESSION: MSBNK-Keio_Univ-KO002924
RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-001i-0900000000-51bf3e28fa7698abc6f9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  49.800 54455.5 1
  54.900 44554.5 1
  63.900 14851.5 1
  68.700 24752.5 1
  73.700 44554.5 1
  78.200 49505.0 1
  83.000 2198022.0 14
  84.200 2782181.0 18
  85.400 9901.0 1
  88.800 14851.5 1
  92.800 29703.0 1
  97.800 29703.0 1
  100.700 29703.0 1
  101.700 74257.5 1
  102.200 49505.0 1
  111.900 34653.5 1
  112.300 44554.5 1
  115.400 123762.5 1
  128.800 128713.0 1
  130.100 152549657.5 999
  147.300 2673270.0 18
  148.200 366337.0 2
  152.800 14851.5 1
//