MassBank Record: RP001411



 L-Glutamic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP001411
RECORD_TITLE: L-Glutamic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
DATE: 2017.10.20
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 14

CH$NAME: L-Glutamic acid CH$NAME: (2S)-2-azaniumyl-5-hydroxy-5-oxopentanoate CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C5H9NO4 CH$EXACT_MASS: 147.05316 CH$SMILES: C(CC(=O)O)[C@@H](C(=O)O)N CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 CH$LINK: CAS 56-86-0 CH$LINK: CHEBI 16015 CH$LINK: KEGG C00025 CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: CHEMSPIDER 30572
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.601 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 68.9969 MS$FOCUSED_ION: PRECURSOR_M/Z 146.0459 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-0f6t-0900000000-5c893e080a48b7e0f429 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 85.0299 32 33 102.0562 626 650 128.0355 390 405 146.0462 962 999 //