Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 70eV, Positive (MMDBc0030124)
Spectrum Details
| MiMe ID: | MMDBc0030124 |
|---|---|
| Compound Name: | 5-Methylaminomethyl-2-thiouridine |
| Derivative IUPAC Name: | 1-[(2S,3S,4S,5S)-4-hydroxy-3-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-5-[(methylamino)methyl]-4-[(trimethylsilyl)oxy]-1,2-dihydropyrimidine-2-thione |
| Derivative SMILES: | CNCC1=CN([C@H]2O[C@@H](CO[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(=S)N=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=LBSNPBMERAVVDO-DWRORGKVSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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: | C11H17N3O5S |
| Molecular Weight (Monoisotopic Mass): | 303.0889 Da |
| Derivative Type: | TMS_3_4 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References