Predicted GC-MS Spectrum - 6-({8,9-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid GC-MS (TMS_3_46) - 70eV, Positive (HMDB0133436)
Spectrum Details
| HMDB ID: | HMDB0133436 |
|---|---|
| Compound Name: | 6-({8,9-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC2=CC=C1OC1=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C=CC(=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=CCCC2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 6-({8,9-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid GC-MS (TMS_3_46) - 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: | C26H30O12 |
| Molecular Weight (Monoisotopic Mass): | 534.1737 Da |
| Derivative Type: | TMS_3_46 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC2=CC=C1OC1=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C=CC(=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=CCCC2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available