Predicted GC-MS Spectrum - {3,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-chromen-6-yl]-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0128565)
Spectrum Details
| HMDB ID: | HMDB0128565 |
|---|---|
| Compound Name: | {3,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-chromen-6-yl]-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - {3,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-chromen-6-yl]-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive |
| Splash Key: | splash10-00b9-6109530000-1ed55b7f4adccd7ddd67 |
| 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: | C22H22O15S |
| Molecular Weight (Monoisotopic Mass): | 558.0679 Da |
Notes
Predicted by CFMID-EI, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| Generated list of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available