Predicted GC-MS Spectrum - 2-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol GC-MS (TMS_5_111) - 70eV, Positive (HMDB0126695)
Spectrum Details
| HMDB ID: | HMDB0126695 |
|---|---|
| Compound Name: | 2-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(O[Si](C)(C)C)=C(C2OC3=CC(O[Si](C)(C)C)=C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3CC2O)C=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 2-(2,5-dihydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol GC-MS (TMS_5_111) - 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: | C22H26O12 |
| Molecular Weight (Monoisotopic Mass): | 482.1424 Da |
| Derivative Type: | TMS_5_111 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(O[Si](C)(C)C)=C(C2OC3=CC(O[Si](C)(C)C)=C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3CC2O)C=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available