Predicted GC-MS Spectrum - GC-MS (TMS_4_21) - 70eV, Positive (MMDBc0055551)
Spectrum Details
| MiMe ID: | MMDBc0055551 |
|---|---|
| Compound Name: | 5-amino-5-(4-hydroxybenzyl)-6-(D-ribitylimino)-5,6-dihydrouracil |
| Derivative IUPAC Name: | (2R,3S,4S)-5-({5-amino-6-hydroxy-2-[(trimethylsilyl)oxy]-5-({4-[(trimethylsilyl)oxy]phenyl}methyl)-4,5-dihydropyrimidin-4-ylidene}amino)-2,3-bis[(trimethylsilyl)oxy]pentane-1,4-diol |
| Derivative SMILES: | C[Si](C)(C)OC1=NC(=NC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C(N)(CC2=CC=C(O[Si](C)(C)C)C=C2)C(O)=N1 |
| Derivative InChIKey: | InChIKey=CKSABTRNMVNBQB-HJMQJNHMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_21) - 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: | C16H22N4O7 |
| Molecular Weight (Monoisotopic Mass): | 382.1488 Da |
| Derivative Type: | TMS_4_21 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References