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Spectrum Details
HMDB ID:HMDB0125955
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 - 40V, Negative
Splash Key:splash10-00fr-2691000010-c90f10a333c8a95f138b
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
Collision Energy:40 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 DescriptionDownload
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.56 KB
References
Not Available