Predicted LC-MS/MS Spectrum - 40V, Negative (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 |
Spectrum type: | Predicted LC-MS/MS Spectrum - 40V, Negative |
Splash Key: | splash10-03dl-9770000000-0a770e8b1f17201ec514 |
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: | Negative |
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Collision Energy: | 40 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C18H26O17S |
Molecular Weight (Monoisotopic Mass): | 546.0891 Da |
Documentation
Document Description | Download | |
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List of m/z values for the spectrum (TXT) | Download file | 743 Bytes |
mzML formatted file (MZML) | Download file | 4.56 KB |
References
Not Available