Predicted GC-MS Spectrum - GC-MS (TMS_3_22) - 70eV, Positive (MMDBc0000754)
Spectrum Details
| MiMe ID: | MMDBc0000754 |
|---|---|
| Compound Name: | glutamyl-meso-diaminopimelate |
| Derivative IUPAC Name: | (2R,6S)-2-[(4R)-4-amino-4-carboxybutanamido]-6-[bis(trimethylsilyl)amino]-7-oxo-7-[(trimethylsilyl)oxy]heptanoic acid |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@H](CCC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=WDXYTZQMLXGMNK-ZACQAIPSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_22) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C12H21N3O7 |
| Molecular Weight (Monoisotopic Mass): | 319.138 Da |
| Derivative Type: | TMS_3_22 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References