Predicted GC-MS Spectrum - GC-MS (TMS_6_735) - 70eV, Positive (MMDBc0003576)
Spectrum Details
| MiMe ID: | MMDBc0003576 |
|---|---|
| Compound Name: | Zwittermicin A |
| Derivative IUPAC Name: | (2S,3R,4R)-4-amino-5,7-dihydroxy-N-[1-(C-hydroxycarbonimidoyl)-2-(4-imino-2,2,6,6-tetramethyl-3-oxa-5-aza-2,6-disilaheptan-5-yl)ethyl]-8-[(trimethylsilyl)amino]-2,3,9-tris[(trimethylsilyl)oxy]nonanimidic acid |
| Derivative SMILES: | C[Si](C)(C)NC(CO[Si](C)(C)C)C(O)CC(O)[C@@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O)=NC(CN(C(=N)O[Si](C)(C)C)[Si](C)(C)C)C(=N)O |
| Derivative InChIKey: | InChIKey=RYLOVIBHDFABHZ-RRVIKYPHSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_735) - 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: | C13H28N6O8 |
| Molecular Weight (Monoisotopic Mass): | 396.1969 Da |
| Derivative Type: | TMS_6_735 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References