ACCESSION: MSBNK-Keio_Univ-KO000846
RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:40 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-2-Aminoglutaramic acid
CH$NAME: L-Glutamine
CH$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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 145
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-9000000000-2efd9a9911917ffc0e76
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.100 128713.0 90
  42.000 1430694.5 999
  45.000 24752.5 17
  56.100 29703.0 21
  57.900 415842.0 290
  73.900 89109.0 62
  82.200 89109.0 62
  84.300 133663.5 93
  85.800 29703.0 21
  127.400 44554.5 31
//