Predicted GC-MS Spectrum - Adenylyl-molybdopterin GC-MS (TMS_2_13) - 70eV, Positive (HMDB0059628)
Spectrum Details
| HMDB ID: | HMDB0059628 |
|---|---|
| Compound Name: | Adenylyl-molybdopterin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]3NC4=C(N[C@H]3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Adenylyl-molybdopterin GC-MS (TMS_2_13) - 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: | C20H26N10O12P2S2 |
| Molecular Weight (Monoisotopic Mass): | 724.0648 Da |
| Derivative Type: | TMS_2_13 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]3NC4=C(N[C@H]3C(S[Si](C)(C)C)=C2S)C(=O)[NH]C(N)=N4)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 760 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available