Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 70eV, Positive (MMDBc0055683)
Spectrum Details
| MiMe ID: | MMDBc0055683 |
|---|---|
| Compound Name: | adenosylcob(III)alamin 5'-phosphate |
| Derivative IUPAC Name: | [(2R,3S,4R,5R)-5-{6-[bis(trimethylsilyl)amino]-9H-purin-9-yl}-4-hydroxy-3-[(trimethylsilyl)oxy]oxolan-2-yl]methyl |
| Derivative SMILES: | [CH2][C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=AYNGQGOCGZETNA-NVQRDWNXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C72H99CoN18O20P2 |
| Molecular Weight (Monoisotopic Mass): | 1656.6101 Da |
| Derivative Type: | TMS_3_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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References