Predicted GC-MS Spectrum - 6-[2,3-dihydroxy-5-({[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid GC-MS (TBDMS_3_25) - 70eV, Positive (HMDB0133148)
Spectrum Details
| HMDB ID: | HMDB0133148 |
|---|---|
| Compound Name: | 6-[2,3-dihydroxy-5-({[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 6-[2,3-dihydroxy-5-({[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid GC-MS (TBDMS_3_25) - 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: | C19H24O16 |
| Molecular Weight (Monoisotopic Mass): | 508.1064 Da |
| Derivative Type: | TBDMS_3_25 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available