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MassBank Record: KO000845

L-Glutamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000845
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-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 30 V

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

PK$SPLASH: splash10-059x-9200000000-87603100e9cb637b9f35
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42.000 1321783.5 999
  55.700 29703.0 22
  57.100 64356.5 49
  58.000 628713.5 475
  67.000 262376.5 198
  69.700 44554.5 34
  71.300 158416.0 120
  72.800 24752.5 19
  74.000 762377.0 576
  81.000 29703.0 22
  82.100 341584.5 258
  83.500 34653.5 26
  84.000 955446.5 722
  85.800 103960.5 79
  97.200 39604.0 30
  99.000 99010.0 75
  100.700 123762.5 94
  108.200 29703.0 22
  109.000 361386.5 273
  127.100 569307.5 430
  128.100 99010.0 75
  145.600 19802.0 15
//

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