Predicted GC-MS Spectrum - 6-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2-[(1-Pyridin-2-Ylpiperidin-4-Yl)carbamoylamino]ethyl]purine-2-Carboxamide GC-MS (TMS_1_6) - 70eV, Positive (HMDB0260329)
Spectrum Details
| HMDB ID: | HMDB0260329 |
|---|---|
| Compound Name: | 6-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2-[(1-Pyridin-2-Ylpiperidin-4-Yl)carbamoylamino]ethyl]purine-2-Carboxamide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCNC(=O)C1OC(N2C=NC3=C(NCC(C4=CC=CC=C4)C4=CC=CC=C4)N=C(C(=O)NCCN(C(=O)NC4CCN(C5=CC=CC=N5)CC4)[Si](C)(C)C)N=C32)C(O)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 6-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2-[(1-Pyridin-2-Ylpiperidin-4-Yl)carbamoylamino]ethyl]purine-2-Carboxamide GC-MS (TMS_1_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: | C40H47N11O6 |
| Molecular Weight (Monoisotopic Mass): | 777.3711 Da |
| Derivative Type: | TMS_1_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCNC(=O)C1OC(N2C=NC3=C(NCC(C4=CC=CC=C4)C4=CC=CC=C4)N=C(C(=O)NCCN(C(=O)NC4CCN(C5=CC=CC=N5)CC4)[Si](C)(C)C)N=C32)C(O)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available