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Spectrum Details
Compound Name:Trypanothione
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CS)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Trypanothione GC-MS (TMS_1_13) - 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:C27H49N9O10S2
Molecular Weight (Monoisotopic Mass):723.3044 Da
Derivative Type:TMS_1_13
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CS)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.66 KB
Not Available