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Spectrum Details
HMDB ID:HMDB0039972
Compound Name:4'-Hydroxyanigorootin
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC12OC3=CC=C4C=CC(C5=CC=C(O)C=C5)=C5C(=O)C6(O)OC7=C(C8=C(C1=O)C(C1=CC=CC=C1)=CC=C8C=C7)C2C6C3=C54
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 4'-Hydroxyanigorootin GC-MS (TMS_1_3) - 70eV, Positive
Splash Key:Not Available
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
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:C38H22O7
Molecular Weight (Monoisotopic Mass):590.1366 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC12OC3=CC=C4C=CC(C5=CC=C(O)C=C5)=C5C(=O)C6(O)OC7=C(C8=C(C1=O)C(C1=CC=CC=C1)=CC=C8C=C7)C2C6C3=C54)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available