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Spectrum Details
HMDB ID:HMDB0250383
Compound Name:N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-proline
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1SCC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)N2CCCC2C(=O)O)[Si](C)(C)C)NC1=O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-proline GC-MS (TMS_1_3) - 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:C17H23N5O5S
Molecular Weight (Monoisotopic Mass):409.142 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1SCC(C(=O)N(C(CC2=CN=C[NH]2)C(=O)N2CCCC2C(=O)O)[Si](C)(C)C)NC1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available