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Spectrum Details
HMDB ID:HMDB0005095
Compound Name:11-trans-Leukotriene C4
Derivative IUPAC Name:Not Available
Derivative SMILES:CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 11-trans-Leukotriene C4 GC-MS (TMS_2_4) - 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:C30H47N3O9S
Molecular Weight (Monoisotopic Mass):625.3033 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available