Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0031768)
Spectrum Details
| MiMe ID: | MMDBc0031768 |
|---|---|
| Compound Name: | Adenosylcob(III)yrinic acid a,c-diamide |
| Derivative IUPAC Name: | (2R,3S,4R,5R)-2-methyl-5-{6-[(trimethylsilyl)amino]-9H-purin-9-yl}oxolane-3,4-diol |
| Derivative SMILES: | C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O |
| Derivative InChIKey: | InChIKey=LPJZDBZZVMWIAG-QYVSTXNMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C55H75CoN11O15 |
| Molecular Weight (Monoisotopic Mass): | 1188.4776 Da |
| Derivative Type: | TMS_1_3 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References