Spectrum Details
MiMe ID:MMDBc0030093
Compound Name:S-Ribosyl-L-homocysteine
Derivative IUPAC Name:trimethylsilyl (2S)-2-[bis(trimethylsilyl)amino]-4-({[(2S,3S,4R)-4,5-dihydroxy-3-[(trimethylsilyl)oxy]oxolan-2-yl]methyl}sulfanyl)butanoate
Derivative SMILES:C[Si](C)(C)OC(=O)[C@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Derivative InChIKey:InChIKey=IKKUNZOJXRUJQM-HKJWYARFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_11) - 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:C9H17NO6S
Molecular Weight (Monoisotopic Mass):267.0777 Da
Derivative Type:TMS_4_11
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file768 Bytes
mzML formatted file (MZML)Download file4.64 KB
References