Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CHEM030796)
Spectrum Details
chemdb ID: | CHEM030796 |
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Compound Name: | Haem |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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 |
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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: | C37H40FeN4O4Si |
Molecular Weight (Monoisotopic Mass): | 688.217 Da |
Molecular Weight (Avergae Mass): | 688.6698 Da |
Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(=O)O)C6=[N+]5[Fe-2]5(N43)N3C(=CC1=[N+]25)C(C)=C(CCC(=O)O[Si](C)(C)C)C3=C6)
Documentation
Document Description | Download |
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List of m/z values for the spectrum | Download file |
mzML formatted file | Download file |
References
Not Available