L-Glutamic acid; MS2; QqQ; positive; CE 20 V

2009.2.9 Copyright(C) 2008 Plant Science Center, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PS027202
RECORD_TITLE L-Glutamic acid; MS2; QqQ; positive; CE 20 V
DATE 2009.2.9
AUTHORS Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
COPYRIGHT Copyright(C) 2008 Plant Science Center, RIKEN
COMMENTS Build 5
COMMENTS Data acquisition and generation is financially supported in part by CREST/JST.
COMMENTS Source compound SIGMA, G1251.
COMMENTS PRIMe compound in-house ID 272
COMMENTS This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENTS The spectral data and services are available to the research and academic community only.
COMMENTS All users must cite follwing literature in publication(s).
PUBLICATION Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183
STRUCTURE_FILE_NAME N/A
CH$ NAME L-Glutamic acid
CH$ NAME Glu
CH$ NAME L-Glutamate
CH$ NAME alpha-Glutamic acid
CH$ NAME L-alpha-Aminoglutaric Acid
CH$ NAME (S)-2-Aminopentanedioic acid
CH$ NAME L-1-Aminopropane-1,3-dicarboxylic Acid
CH$ NAME 1-Aminopropane-1,3-dicarboxylic acid
CH$ NAME Aciglut
CH$ NAME Glusate
CH$ NAME Glutacid
CH$ NAME Glutaminol
CH$ NAME Glutaton
CH$ COMPOUND_CLASS CLASS1 Amino acid
CH$ COMPOUND_CLASS CLASS2 Glutamic acid
CH$ FORMULA C5H9NO4
CH$ EXACT_MASS 147.053
CH$ LINK CAS 56-86-0
CH$ LINK KEGG C00025 LinkIcon
CH$ LINK PUBCHEM CID 33032 LinkIcon
CH$ SMILES C(CC(=O)O)C(C(=O)O)N
CH$ INCHI InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/f/h7,9H
CH$ IUPAC (2S)-2-aminopentanedioic acid
AC$ INSTRUMENT TQD, Waters
AC$ INSTRUMENT_TYPE N/A
AC$ ANALYTICAL_CONDITION MS_TYPE Flow-injection QqQ/MS
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION PRECURSOR_SELECTION Q
AC$ ANALYTICAL_CONDITION FRAGMENTATION_EQUIPMENT Q
AC$ ANALYTICAL_CONDITION FRAGMENTATION_METHOD LOW-ENERGY CID
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 20
AC$ ANALYTICAL_CONDITION SPECTRUM_TYPE Q
AC$ ANALYTICAL_CONDITION DATAFORMAT CENTROID
AC$ ANALYTICAL_CONDITION MODE POSITIVE
MS$ FOCUSED_ION ION_TYPE [M+H]+
MS$ FOCUSED_ION PRECURSOR_M/Z 148.12
PK$ NUM_PEAK 8
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
83
30495
184
84
165181
999
101
21047
127
102
49360
298
129
6626
40
130
24035
145
147
10955
66
148
26773
161

RIKEN Center for Sustainable Resource Science : Metabolomics Research Group, LC-MS Branch  |  Website policy  Creative Commons License   |   PRIMe