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Spectrum Details
HMDB ID:HMDB0030442
Compound Name:Dinophysistoxin 1
Derivative IUPAC Name:Not Available
Derivative SMILES:C=C1C(O)C2OC3(CCC(/C=C/C(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)O[Si](C)(C)C)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCC1C)OCCCC2C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Dinophysistoxin 1 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:C45H70O13
Molecular Weight (Monoisotopic Mass):818.4816 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1C(O)C2OC3(CCC(/C=C/C(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)O[Si](C)(C)C)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCC1C)OCCCC2C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available