Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 70eV, Positive (MMDBc0017106)
Spectrum Details
| MiMe ID: | MMDBc0017106 |
|---|---|
| Compound Name: | Clavorubin |
| Derivative IUPAC Name: | trimethylsilyl 1,8-dihydroxy-3-methyl-9,10-dioxo-5,6-bis[(trimethylsilyl)oxy]-9,10-dihydroanthracene-2-carboxylate |
| Derivative SMILES: | CC1=CC2=C(C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)=C1C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ZJFAEWCZJATSFY-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 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: | C16H10O8 |
| Molecular Weight (Monoisotopic Mass): | 330.0376 Da |
| Derivative Type: | TMS_3_9 |
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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References