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MassBank Record: KO002919

D-Glu; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002919
RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0002-0900000000-c7d42b011a328bb7991d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  68.800 29703.0 1
  70.700 74257.5 2
  74.000 341584.5 8
  74.800 336634.0 7
  75.800 69307.0 2
  81.200 59406.0 1
  84.100 2990102.0 66
  85.100 84158.5 2
  87.800 103960.5 2
  88.200 168317.0 4
  95.000 39604.0 1
  97.700 24752.5 1
  98.900 113861.5 3
  102.100 5396045.0 119
  112.000 257426.0 6
  113.200 1767328.5 39
  116.100 138614.0 3
  130.000 11450506.5 252
  131.200 2737626.5 60
  148.000 45351530.5 999
//

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