Predicted GC-MS Spectrum - {4-[(1E)-3-{2,3-dihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4,6-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0128296)
Spectrum Details
| HMDB ID: | HMDB0128296 |
|---|---|
| Compound Name: | {4-[(1E)-3-{2,3-dihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4,6-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - {4-[(1E)-3-{2,3-dihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4,6-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive |
| Splash Key: | splash10-0kh9-5600039000-717ea200ffbdc32e25b5 |
| 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: | C27H32O19S |
| Molecular Weight (Monoisotopic Mass): | 692.1258 Da |
Notes
Predicted by CFMID-EI, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 739 Bytes |
| Generated list of m/z values for the spectrum (TXT) | Download file | 739 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available