ACCESSION: MSBNK-IPB_Halle-PB000463
RECORD_TITLE: Glutamic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 264
COMMENT: CONFIDENCE confident structure

CH$NAME: Glutamic acid
CH$NAME: 2-aminopentanedioic acid
CH$COMPOUND_CLASS: Natural Product; amino acid
CH$FORMULA: C₅H₉NO₄
CH$EXACT_MASS: 147.05316
CH$SMILES: C(CC(=O)O)C(C(=O)O)N
CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-UHFFFAOYSA-N
CH$LINK: KEGG C00025
CH$LINK: PUBCHEM CID:611
CH$LINK: COMPTOX DTXSID0046987

AC$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9300000000-f36781f2872f0c748fcf
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  56.049 303.236 29
  84.044 10000.000 999
  85.028 260.108 25
  102.056 2882.916 287
  130.049 1455.996 144
  148.061 331.711 32
//