Spectrum Details
MiMe ID:MMDBc0051334
Compound Name:2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate
Derivative IUPAC Name:[2-(4-methyl-2-{[(trimethylsilyl)oxy]carbonyl}-1,3-thiazol-5-yl)ethoxy]phosphonic acid
Derivative SMILES:CC1=C(CCOP(=O)(O)O)SC(C(=O)O[Si](C)(C)C)=N1
Derivative InChIKey:InChIKey=XPLVPJVYIAVZFB-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C7H10NO6PS
Molecular Weight (Monoisotopic Mass):266.9966 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file768 Bytes
mzML formatted file (MZML)Download file4.63 KB
References