MassBank Record: RP001401



 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: RP001401
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$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 0.590 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 148.0599 MS$FOCUSED_ION: PRECURSOR_M/Z 148.0604 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: splash10-001i-8900000000-b735feb2990a75afdefa PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 60.0802 42 2 77.9979 58 2 84.0442 20740 999 85.0279 214 10 86.0479 54 2 99.0429 48 2 102.0549 7830 377 127.9734 54 2 130.0496 3586 172 131.0328 78 3 131.0531 364 17 134.0334 44 2 136.0709 42 2 148.0596 10794 519 //