Spectrum Details
MiMe ID:MMDBc0052848
Compound Name:adenosylcobinamide phosphate
Derivative IUPAC Name:(2R,3R,4S,5R)-2-{6-[bis(trimethylsilyl)amino]-9H-purin-9-yl}-5-methyl-4-[(trimethylsilyl)oxy]oxolan-3-ol
Derivative SMILES:C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=PYYRLNGELBKALY-NVQRDWNXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_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:C58H87CoN16O14P
Molecular Weight (Monoisotopic Mass):1321.5657 Da
Derivative Type:TMS_3_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file771 Bytes
mzML formatted file (MZML)Download file4.63 KB
References