ACCESSION: MSBNK-Keio_Univ-KO002944
RECORD_TITLE: L-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 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 10 V

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

PK$SPLASH: splash10-001j-0900000000-c9c71895033d66cb2bec
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  50.100 64356.5 1
  50.700 39604.0 1
  55.100 84158.5 1
  73.900 34653.5 1
  77.700 59406.0 1
  78.800 79208.0 1
  83.000 3435647.0 39
  84.200 2980201.0 34
  87.300 39604.0 1
  98.700 29703.0 1
  101.000 1599011.5 18
  102.000 99010.0 1
  110.900 49505.0 1
  112.000 54455.5 1
  115.200 257426.0 3
  129.300 252475.5 3
  130.000 88113949.5 999
  146.500 356436.0 4
  147.100 54460450.5 617
  147.800 217822.0 2
  165.000 24752.5 1
//