Predicted GC-MS Spectrum - GC-MS (TMS_6_107) - 70eV, Positive (MMDBc0015732)
Spectrum Details
| MiMe ID: | MMDBc0015732 |
|---|---|
| Compound Name: | Molybdopterin |
| Derivative IUPAC Name: | (3E)-1-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)-4-[2-imino-5,8-bis(trimethylsilyl)-4-[(trimethylsilyl)oxy]-1,2,5,8-tetrahydropteridin-6-yl]-4-sulfanyl-3-[(trimethylsilyl)sulfanyl]but-3-en-2-ol |
| Derivative SMILES: | C[Si](C)(C)OC1=NC(=N)NC2=C1N([Si](C)(C)C)C(/C(S)=C(\S[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=CN2[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CYRIFLOKBXTCSV-OCOZRVBENA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_107) - 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: | C10H14N5O6PS2 |
| Molecular Weight (Monoisotopic Mass): | 395.0123 Da |
| Derivative Type: | TMS_6_107 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References