Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0028158)
Spectrum Details
| MiMe ID: | MMDBc0028158 |
|---|---|
| Compound Name: | Valactamide A |
| Derivative IUPAC Name: | (3S,6S,9Z)-3-(butan-2-yl)-8-hydroxy-9,11,13,15,17,20-hexamethyl-6-(propan-2-yl)-5-[(trimethylsilyl)oxy]-1-oxa-4,7-diazacycloicosa-4,7,9-trien-2-one |
| Derivative SMILES: | CCC(C)[C@@H]1N=C(O[Si](C)(C)C)[C@H](C(C)C)N=C(O)/C(C)=C\C(C)CC(C)CC(C)CC(C)CCC(C)OC1=O |
| Derivative InChIKey: | InChIKey=MAUOIUOGFPWIHV-NJHZFWRHSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C30H54N2O4 |
| Molecular Weight (Monoisotopic Mass): | 506.4084 Da |
| Derivative Type: | TMS_1_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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References