Predicted GC-MS Spectrum - GC-MS (TMS_6_1) - 70eV, Positive (MMDBc0055586)
Spectrum Details
| MiMe ID: | MMDBc0055586 |
|---|---|
| Compound Name: | 5,10-methylenetetrahydrosulfopterin |
| Derivative IUPAC Name: | 8-{4-[(2S,3S,4R)-2,3,4,5-tetrakis[(trimethylsilyl)oxy]pentyl]phenyl}-5-(trimethylsilyl)-1-[(trimethylsilyl)oxy]-3H,4H,5H,6H,6aH,7H,8H,9H-imidazo[1,5-f]pteridin-3-imine |
| Derivative SMILES: | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CC1=CC=C(N2CC3CN([Si](C)(C)C)C4=C(C(O[Si](C)(C)C)=NC(=N)N4)N3C2)C=C1)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ARJFHUNLTQHGPA-UKTFWVQQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_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
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: | C19H26N6O5 |
| Molecular Weight (Monoisotopic Mass): | 418.1965 Da |
| Derivative Type: | TMS_6_1 |
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 | 4.63 KB |
References