Predicted GC-MS Spectrum - GC-MS (TBDMS_4_38) - 70eV, Positive (CDB004992)
Spectrum Details
| CDB ID: | CDB004992 |
|---|---|
| Compound Name: | 5-Amino-6-ribitylamino uracil |
| Derivative IUPAC Name: | 1-(tert-butyldimethylsilyl)-5-[(tert-butyldimethylsilyl)amino]-6-[(5S)-2,2,3,3,8,8,9,9-octamethyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]-4-oxa-7-aza-3,8-disiladecan-7-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)NC1=C(N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)[NH]C1=O |
| Derivative InChIKey: | InChIKey=VPMZATLGFNPOGC-RMTZWNOUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_4_38) - 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: | C9H16N4O6 |
| Molecular Weight (Monoisotopic Mass): | 276.107 Da |
| Derivative Type: | TBDMS_4_38 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)NC1=C(N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)[NH]C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available