ACCESSION: MSBNK-Keio_Univ-KO002946
RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-001i-9000000000-4453ba3a8060cc6c6bdb
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.000 272277.5 6
  43.900 39604.0 1
  56.300 1891091.0 40
  69.000 44554.5 1
  69.300 24752.5 1
  73.600 59406.0 1
  73.800 108911.0 2
  83.300 54455.5 1
  84.200 47772325.0 999
  84.900 618812.5 13
  86.900 29703.0 1
  88.000 29703.0 1
  95.300 44554.5 1
  100.900 44554.5 1
  101.900 475248.0 10
  112.300 34653.5 1
  129.900 955446.5 20
//