ACCESSION: MSBNK-Keio_Univ-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: KEGG C00064
CH$LINK: NIKKAJI J9.170G
CH$LINK: PUBCHEM SID:3364
CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID1023100

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.
  55.100 44554.5 1
  56.300 84158.5 1
  71.800 39604.0 1
  72.800 24752.5 1
  74.000 54455.5 1
  83.000 133663.5 2
  84.200 57970355.0 999
  85.000 272277.5 5
  87.100 29703.0 1
  88.100 59406.0 1
  97.500 19802.0 1
  101.200 1792081.0 31
  101.900 1311882.5 23
  114.900 49505.0 1
  115.400 9901.0 1
  130.100 28643593.0 494
  147.100 638614.5 11
//