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MassBank Record: KO002921

D-Glu; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002921
RECORD_TITLE: D-Glu; 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 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 30 V

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

PK$SPLASH: splash10-001i-9000000000-407a30a35de9c1cceb3a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41.000 212871.5 9
  43.200 59406.0 3
  55.300 24752.5 1
  56.200 1757427.5 78
  57.100 163366.5 7
  58.100 34653.5 2
  66.900 89109.0 4
  69.900 34653.5 2
  71.000 113861.5 5
  73.900 118812.0 5
  74.600 19802.0 1
  79.700 19802.0 1
  84.100 22584181.0 999
  84.900 876238.5 39
  88.100 34653.5 2
  95.200 59406.0 3
  102.200 797030.5 35
  112.000 59406.0 3
  113.100 94059.5 4
  130.500 24752.5 1
//

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