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 DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available