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Predicted GC-MS Spectrum - [3,5-dihydroxy-2-(hydroxymethyl)-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-4-yl]oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0128283)
Spectrum Details
HMDB ID: | HMDB0128283 |
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Compound Name: | [3,5-dihydroxy-2-(hydroxymethyl)-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-oxocyclohexa-2,5-dien-1-yl}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-(hydroxymethyl)-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-4-yl]oxidanesulfonic acid GC-MS (Non-derivatized) - 70eV, Positive |
Splash Key: | splash10-0mti-5623950000-782b0e3b045b2c5e5be7 |
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 |
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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: | C18H26O17S |
Molecular Weight (Monoisotopic Mass): | 546.0891 Da |
Notes
Predicted by CFMID-EI, energy0
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
Generated list of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available