Predicted GC-MS Spectrum - 3,4,8,9,10-pentahydroxy-6-oxo-7-{5,11,12,13-tetrahydroxy-4-[1-hydroxy-2-(sulfooxy)ethyl]-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-10-yl}-6H-benzo[c]chromene-1-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0129524)
Spectrum Details
| HMDB ID: | HMDB0129524 |
|---|---|
| Compound Name: | 3,4,8,9,10-pentahydroxy-6-oxo-7-{5,11,12,13-tetrahydroxy-4-[1-hydroxy-2-(sulfooxy)ethyl]-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-10-yl}-6H-benzo[c]chromene-1-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 3,4,8,9,10-pentahydroxy-6-oxo-7-{5,11,12,13-tetrahydroxy-4-[1-hydroxy-2-(sulfooxy)ethyl]-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-10-yl}-6H-benzo[c]chromene-1-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive |
| Splash Key: | splash10-002f-4600294000-0a9c0cf495492b36cbad |
| 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: | C27H20O21S |
| Molecular Weight (Monoisotopic Mass): | 712.0218 Da |
Notes
Predicted by CFMID-EI, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| Generated list of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available