| ReSpect |
ACCESSION
|
||||
![[Help]](/menta.cgi/static/respect/images/iconHelp.gif){kind=small} Help is displayed.
|
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
|
| CH$ LINK | PUBCHEM |
CID 33032
|
| 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. ![[-]](/menta.cgi/static/respect/images/iconMinus.gif){kind=small} 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
|
