ACCESSION: MSBNK-Keio_Univ-KO002923
RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-0a4i-9000000000-331b7ed6ea33880c306e
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  40.900 188119.0 169
  43.000 39604.0 36
  55.700 54455.5 49
  56.200 1108912.0 999
  84.100 504951.0 455
  84.700 14851.5 13
//