Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0054904)
Spectrum Details
| MiMe ID: | MMDBc0054904 |
|---|---|
| Compound Name: | (3R)-3,8,9,10-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracen-1-one |
| Derivative IUPAC Name: | (3R)-8,10-dihydroxy-6-methyl-3,9-bis[(trimethylsilyl)oxy]-1,2,3,4-tetrahydroanthracen-1-one |
| Derivative SMILES: | CC1=CC(O)=C2C(O[Si](C)(C)C)=C3C(=O)C[C@H](O[Si](C)(C)C)CC3=C(O)C2=C1 |
| Derivative InChIKey: | InChIKey=KAIIVVRQIUFREM-CYBMUJFWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C15H14O5 |
| Molecular Weight (Monoisotopic Mass): | 274.0841 Da |
| Derivative Type: | TMS_2_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 | 766 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References