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MassBank Record: KO000844

L-Glutamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000844
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-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 20 V

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

PK$SPLASH: splash10-004i-2900000000-9ef33cba15869a882a74
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  42.000 336634.0 33
  57.400 54455.5 5
  58.200 262376.5 26
  67.000 212871.5 21
  69.800 54455.5 5
  71.100 99010.0 10
  72.900 39604.0 4
  74.000 1361387.5 135
  82.100 351485.5 35
  83.000 103960.5 10
  84.100 2262378.5 225
  84.900 24752.5 2
  86.100 351485.5 35
  99.400 386139.0 38
  101.100 1287130.0 128
  101.700 49505.0 5
  109.100 5920798.0 588
  127.000 10059416.0 999
  128.200 2792082.0 277
  144.900 4475252.0 444
//

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