Spectrum Details
MiMe ID:MMDBc0054402
Compound Name:coenzyme B
Derivative IUPAC Name:(2S,3R)-3-({hydroxy[(trimethylsilyl)oxy]phosphoryl}oxy)-2-{7-[(trimethylsilyl)sulfanyl]heptanamido}butanoic acid
Derivative SMILES:C[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](NC(=O)CCCCCCS[Si](C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=KWMLALCHIKVEQX-ZBFHGGJFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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:C11H22NO7PS
Molecular Weight (Monoisotopic Mass):343.0855 Da
Derivative Type:TMS_2_5
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file774 Bytes
mzML formatted file (MZML)Download file4.63 KB
References