Predicted GC-MS Spectrum - GC-MS (TMS_3_91) - 70eV, Positive (MMDBc0001736)
Spectrum Details
| MiMe ID: | MMDBc0001736 |
|---|---|
| Compound Name: | Fellutamide F |
| Derivative IUPAC Name: | (2S)-2-{[(2S)-2-{[(3R)-1,3-dihydroxydodecylidene]amino}-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-N-[(2R)-5-methyl-1,1-bis[(trimethylsilyl)oxy]hexan-2-yl]-N'-(trimethylsilyl)pentanediimidic acid |
| Derivative SMILES: | CCCCCCCCC[C@@H](O)CC(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCC(O)=N[Si](C)(C)C)C(O)=N[C@H](CCC(C)C)C(O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=GXDWZGFRFHRTFE-ITGKQZKFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_91) - 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: | C28H53N5O8 |
| Molecular Weight (Monoisotopic Mass): | 587.3894 Da |
| Derivative Type: | TMS_3_91 |
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 | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References