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Spectrum Details
HMDB ID:HMDB0015539
Compound Name:Lopinavir
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1=CC=CC(C)=C1OCC(=O)N([C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)N1CCCNC1=O)[Si](C)(C)C(C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Lopinavir GC-MS (TBDMS_1_4) - 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:C37H48N4O5
Molecular Weight (Monoisotopic Mass):628.3625 Da
Derivative Type:TBDMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC=CC(C)=C1OCC(=O)N([C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)N1CCCNC1=O)[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available