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Predicted LC-MS/MS Spectrum - 20V, Negative (HMDB0128290)
Spectrum Details
HMDB ID: | HMDB0128290 |
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Compound name: | [6-({2,3-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}(hydroxy)methyl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid |
Spectrum type: | Predicted LC-MS/MS Spectrum - 20V, Negative |
Splash Key: | splash10-03ka-5921312000-0fd75f74b62579172de8 |
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: | 20 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C27H32O19S |
Molecular Weight (Monoisotopic Mass): | 692.1258 Da |
Documentation
Document Description | Download | |
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List of m/z values for the spectrum (TXT) | Download file | 739 Bytes |
mzML formatted file (MZML) | Download file | 4.55 KB |
References
Not Available