Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 70eV, Positive (MMDBc0033034)
Spectrum Details
| MiMe ID: | MMDBc0033034 |
|---|---|
| Compound Name: | Adenosine 2'-phosphate |
| Derivative IUPAC Name: | (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-[(trimethylsilyl)oxy]oxolan-3-yl ditrimethylsilyl phosphate |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IQIDHXRXSIEKHU-NVQRDWNXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 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: | C10H14N5O7P |
| Molecular Weight (Monoisotopic Mass): | 347.0631 Da |
| Derivative Type: | TMS_3_6 |
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 | 4.63 KB |
References