Predicted GC-MS Spectrum - GC-MS (TMS_5_16) - 70eV, Positive (MMDBc0031162)
Spectrum Details
| MiMe ID: | MMDBc0031162 |
|---|---|
| Compound Name: | molybdenum cofactor |
| Derivative IUPAC Name: | ({2-[(trimethylsilyl)imino]-4-[(trimethylsilyl)oxy]-6,7-bis[(trimethylsilyl)sulfanyl]-1H,2H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy)[(trimethylsilyl)oxy]phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(NC3OC(COP(=O)(O)O[Si](C)(C)C)C(S[Si](C)(C)C)=C(S[Si](C)(C)C)C3N2)N1 |
| Derivative InChIKey: | InChIKey=NYEDHONFCJEBSK-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_16) - 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: | C10H18MoN5O8PS2 |
| Molecular Weight (Monoisotopic Mass): | 528.9388 Da |
| Derivative Type: | TMS_5_16 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References