Predicted GC-MS Spectrum - GC-MS (TMS_5_190) - 70eV, Positive (MMDBc0056331)
Spectrum Details
| MiMe ID: | MMDBc0056331 |
|---|---|
| Compound Name: | tetrahydrosulfopterin |
| Derivative IUPAC Name: | (2S,3S,4R)-1-[4-({[5,8-bis(trimethylsilyl)-2-[(trimethylsilyl)imino]-4-[(trimethylsilyl)oxy]-1,2,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]-5-[(trimethylsilyl)oxy]pentane-2,3,4-triol |
| Derivative SMILES: | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N1)N([Si](C)(C)C)CC(CNC1=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C)C=C1)N2[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YIZKXRKZNJRFSG-WKQAHSKUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_190) - 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: | C18H26N6O5 |
| Molecular Weight (Monoisotopic Mass): | 406.1965 Da |
| Derivative Type: | TMS_5_190 |
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 | 766 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References