Hmdb loader
Spectrum Details
HMDB ID:HMDB0014369
Compound Name:Indinavir
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)(C)N(C(=O)[C@@H]1CN(CC2=CC=CN=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]1C2=CC=CC=C2C[C@H]1O[Si](C)(C)C)[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Indinavir GC-MS (TMS_2_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:C36H47N5O4
Molecular Weight (Monoisotopic Mass):613.3628 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)N(C(=O)[C@@H]1CN(CC2=CC=CN=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]1C2=CC=CC=C2C[C@H]1O[Si](C)(C)C)[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available