Predicted GC-MS Spectrum - Correolide GC-MS (TMS_1_1) - 70eV, Positive (HMDB0250455)
Spectrum Details
| HMDB ID: | HMDB0250455 |
|---|---|
| Compound Name: | Correolide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C1CC2(O[Si](C)(C)C)C3CCC4(C)C(C(OC(C)=O)C(OC(C)=O)C5(C(C)OC(C)=O)COC(=O)C=CC45)C3(C)C(OC(C)=O)C(OC(C)=O)C2(C)C2(C(=O)OC)OC12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Correolide GC-MS (TMS_1_1) - 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: | C40H52O16 |
| Molecular Weight (Monoisotopic Mass): | 788.3255 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1CC2(O[Si](C)(C)C)C3CCC4(C)C(C(OC(C)=O)C(OC(C)=O)C5(C(C)OC(C)=O)COC(=O)C=CC45)C3(C)C(OC(C)=O)C(OC(C)=O)C2(C)C2(C(=O)OC)OC12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available