Spectrum Details
MiMe ID:MMDBc0055684
Compound Name:adenosylcob(III)inamide phosphate
Derivative IUPAC Name:[(2R,3R,4R,5R)-5-{6-[bis(trimethylsilyl)amino]-9H-purin-9-yl}-3-hydroxy-4-[(trimethylsilyl)oxy]oxolan-2-yl]methyl
Derivative SMILES:[CH2][C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O
Derivative InChIKey:InChIKey=HLVKHPJAMLQQKV-NVQRDWNXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 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:C58H83CoN16O14P
Molecular Weight (Monoisotopic Mass):1317.535 Da
Derivative Type:TMS_3_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References