Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive (MMDBc0029816)
Spectrum Details
MiMe ID: | MMDBc0029816 |
---|---|
Compound Name: | UDP-N-Acetylmuramoyl-L-alanyl-D-glutamate |
Derivative IUPAC Name: | tert-butyldimethylsilyl 4-({[(tert-butyldimethylsilyl)oxy](3,4-dichlorophenyl)methylidene}amino)-4-(dipentylcarbamoyl)butanoate |
Derivative SMILES: | CCCCCN(CCCCC)C(=O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)N=C(O[Si](C)(C)C(C)(C)C)C1=CC=C(Cl)C(Cl)=C1 |
Derivative InChIKey: | InChIKey=JQUBHCOLMVYYJH-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_2_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: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCN(CCCCC)C(=O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)N=C(O[Si](C)(C)C(C)(C)C)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