Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (BMDB0001275)

Spectrum Details
BMDB ID:BMDB0001275
Compound Name:Propionyl-CoA
Derivative IUPAC Name:Not Available
Derivative SMILES:CCC(=O)SCCN=C(O)CCN=C(O)C(O[Si](C)(C)C)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O
Derivative InChIKey:Not Available
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
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750800850
050100150200250300350400450500550600650700750800850
m/z
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:C24H40N7O17P3S
Molecular Weight (Monoisotopic Mass):823.1414 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 file779 Bytes
mzML formatted file (MZML)Download file4.64 KB
References