Predicted LC-MS/MS Spectrum - 10V, Negative (HMDB0125955)
Spectrum Details
HMDB ID: | HMDB0125955 |
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Compound name: | {3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic acid |
Spectrum type: | Predicted LC-MS/MS Spectrum - 10V, Negative |
Splash Key: | splash10-0002-0002001090-2e79d07d2aa9b5d126ce |
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: | 10 eV |
Instrument Type: | QTOF (generic), spectrum predicted by CFM-ID |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C45H36O18S |
Molecular Weight (Monoisotopic Mass): | 896.1622 Da |
Documentation
Document Description | Download | |
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List of m/z values for the spectrum (TXT) | Download file | 628 Bytes |
mzML formatted file (MZML) | Download file | 4.45 KB |
References
Not Available