Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0030132)
Spectrum Details
| MiMe ID: | MMDBc0030132 |
|---|---|
| Compound Name: | Molybdopterin guanine dinucleotide |
| Derivative IUPAC Name: | {[3-hydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}({hydroxy[4-(4-hydroxy-2-imino-1,2,5,8-tetrahydropteridin-6-yl)-3,4-disulfanylidene-2-[(trimethylsilyl)oxy]butoxy]phosphoryl}oxy)phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)OC(COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2NC(=N)N=C3O)C(O[Si](C)(C)C)C1O)C(=S)C(=S)C1=CNC2=C(N1)C(O)=NC(=N)N2 |
| Derivative InChIKey: | InChIKey=WIFQODGVZIVCHP-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C20H24N10O13P2S2 |
| Molecular Weight (Monoisotopic Mass): | 738.0441 Da |
| Derivative Type: | TMS_2_2 |
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