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MassBank Record: KO002920

D-Glu; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002920
RECORD_TITLE: D-Glu; 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 G005

CH$NAME: D-Glu
CH$NAME: D-2-Aminoglutaric acid
CH$NAME: D-Glutamate
CH$NAME: D-Glutaminic acid
CH$NAME: D-Glutamic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO4
CH$EXACT_MASS: 147.05316
CH$SMILES: OC(=O)CC[C@@H](N)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
CH$LINK: CAS 6893-26-1
CH$LINK: CHEBI 15966
CH$LINK: CHEMPDB DGL
CH$LINK: KEGG C00217
CH$LINK: NIKKAJI J9.214B
CH$LINK: PUBCHEM SID:3517
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N
CH$LINK: COMPTOX DTXSID1048675

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9300000000-9fd882f84339f600b5eb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  56.300 143564.5 4
  56.900 133663.5 4
  58.400 24752.5 1
  66.600 34653.5 1
  68.900 128713.0 4
  71.200 118812.0 4
  74.100 227723.0 7
  75.100 69307.0 2
  84.200 32980231.0 999
  85.100 1222773.5 37
  86.800 39604.0 1
  88.400 138614.0 4
  95.100 113861.5 3
  100.000 64356.5 2
  102.100 9316841.0 282
  111.900 158416.0 5
  113.100 915842.5 28
  130.200 4153469.5 126
  130.900 148515.0 4
  148.000 782179.0 24
//

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