Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0027983)
Spectrum Details
| MiMe ID: | MMDBc0027983 |
|---|---|
| Compound Name: | Asperimide C |
| Derivative IUPAC Name: | 4-{[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]methyl}-5-[(trimethylsilyl)oxy]-3-{4-[(trimethylsilyl)oxy]phenyl}-2H-pyrrol-2-one |
| Derivative SMILES: | CC1(C)OC2=CC=C(CC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)C(=O)N=C3O[Si](C)(C)C)C=C2C[C@@H]1O |
| Derivative InChIKey: | InChIKey=PQTCQVKAHQHCHA-DEOSSOPVSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C22H21NO5 |
| Molecular Weight (Monoisotopic Mass): | 379.142 Da |
| Derivative Type: | TMS_2_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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References