Predicted GC-MS Spectrum - GC-MS (TMS_4_4) - 70eV, Positive (MMDBc0053381)
Spectrum Details
| MiMe ID: | MMDBc0053381 |
|---|---|
| Compound Name: | Isopentenyl-AMP |
| Derivative IUPAC Name: | [(2R,3R,4R,5R)-3-hydroxy-5-{6-[(3-methylbut-2-en-1-yl)(trimethylsilyl)amino]-9H-purin-9-yl}-4-[(trimethylsilyl)oxy]oxolan-2-yl]methyl ditrimethylsilyl phosphate |
| Derivative SMILES: | CC(C)=CCN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=JOOMUTVCCMYGEZ-VBHAUSMQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_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: | C15H22N5O7P |
| Molecular Weight (Monoisotopic Mass): | 415.1257 Da |
| Derivative Type: | TMS_4_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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References