Predicted GC-MS Spectrum - GC-MS (TMS_6_6) - 70eV, Positive (MMDBc0029570)
Spectrum Details
| MiMe ID: | MMDBc0029570 |
|---|---|
| Compound Name: | FMNH |
| Derivative IUPAC Name: | ({5-[7,8-dimethyl-2,4-dioxo-3,5-bis(trimethylsilyl)-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl]-2,3,4-tris[(trimethylsilyl)oxy]pentyl}oxy)[(trimethylsilyl)oxy]phosphinic acid |
| Derivative SMILES: | CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(NC(=O)N([Si](C)(C)C)C1=O)N2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FJYGEQBKEUPOLS-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_6) - 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: | C17H23N4O9P |
| Molecular Weight (Monoisotopic Mass): | 458.1203 Da |
| Derivative Type: | TMS_6_6 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References