Predicted GC-MS Spectrum - N-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-2-yl]-hydroxymethyl]-N-methylformamide GC-MS (TBDMS_2_1) - 70eV, Positive (HMDB0258052)
Spectrum Details
| HMDB ID: | HMDB0258052 |
|---|---|
| Compound Name: | N-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-2-yl]-hydroxymethyl]-N-methylformamide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CN(C=O)C(O[Si](C)(C)C(C)(C)C)C1OC(N2C=NC3=C(NCC4=CC=CC(I)=C4)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - N-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-2-yl]-hydroxymethyl]-N-methylformamide GC-MS (TBDMS_2_1) - 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: | C19H21IN6O5 |
| Molecular Weight (Monoisotopic Mass): | 540.0618 Da |
| Derivative Type: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN(C=O)C(O[Si](C)(C)C(C)(C)C)C1OC(N2C=NC3=C(NCC4=CC=CC(I)=C4)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available