Predicted GC-MS Spectrum - (2-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl)oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0132755)
Spectrum Details
| HMDB ID: | HMDB0132755 |
|---|---|
| Compound Name: | (2-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl)oxidanesulfonic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (2-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl)oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive |
| Splash Key: | splash10-00dr-9511500000-5cdb40e4adc294c8529f |
| 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: | C20H20O13S |
| Molecular Weight (Monoisotopic Mass): | 500.0625 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