Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Spectrum Details
HMDB ID:HMDB0003020
Compound Name:Neoxanthin
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O[Si](C)(C)C)C[C@@]1(C)O[Si](C)(C)C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Neoxanthin GC-MS (TMS_2_1) - 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:C40H56O4
Molecular Weight (Monoisotopic Mass):600.4179 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O[Si](C)(C)C)C[C@@]1(C)O[Si](C)(C)C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)
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