Predicted GC-MS Spectrum - {[1-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butan-2-yl]oxy}sulfonic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0130069)
Spectrum Details
| HMDB ID: | HMDB0130069 |
|---|---|
| Compound Name: | {[1-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butan-2-yl]oxy}sulfonic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - {[1-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butan-2-yl]oxy}sulfonic acid GC-MS (Non-derivatized) - 70eV, Positive |
| Splash Key: | splash10-004i-2920000000-106dce687b4f46c70880 |
| 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: | C13H14O7S |
| Molecular Weight (Monoisotopic Mass): | 314.046 Da |
Notes
Predicted by CFMID-EI, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| Generated list of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available