Spectrum Details
MiMe ID:MMDBc0013436
Compound Name:Pyochelin
Derivative IUPAC Name:trimethylsilyl (2R,4R)-3-methyl-2-[(4R)-2-{2-[(trimethylsilyl)oxy]phenyl}-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidine-4-carboxylate
Derivative SMILES:CN1[C@H](C(=O)O[Si](C)(C)C)CS[C@@H]1[C@H]1CSC(C2=CC=CC=C2O[Si](C)(C)C)=N1
Derivative InChIKey:InChIKey=INVPAXUYSPYUSR-JTDSTZFVSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C14H16N2O3S2
Molecular Weight (Monoisotopic Mass):324.0602 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References