Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0029816)
Spectrum Details
| MiMe ID: | MMDBc0029816 |
|---|---|
| Compound Name: | UDP-N-Acetylmuramoyl-L-alanyl-D-glutamate |
| Derivative IUPAC Name: | 3,4-dichloro-N-[1-(dipentylcarbamoyl)-4-oxo-4-[(trimethylsilyl)oxy]butyl]benzene-1-carboximidic acid |
| Derivative SMILES: | CCCCCN(CCCCC)C(=O)C(CCC(=O)O[Si](C)(C)C)N=C(O)C1=CC=C(Cl)C(Cl)=C1 |
| Derivative InChIKey: | InChIKey=AETSZHSLRUTGHZ-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C22H32Cl2N2O4 |
| Molecular Weight (Monoisotopic Mass): | 458.1739 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCN(CCCCC)C(=O)C(CCC(=O)O[Si](C)(C)C)N=C(O)C1=CC=C(Cl)C(Cl)=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available