Spectrum Details
CDB ID:CDB004872
Compound Name:S-Adenosylhomocysteine
Derivative IUPAC Name:(2S)-2-amino-4-({[(2S,3R,4R,5R)-3-hydroxy-5-{6-[(trimethylsilyl)amino]-9H-purin-9-yl}-4-[(trimethylsilyl)oxy]oxolan-2-yl]methyl}sulfanyl)butanoic acid
Derivative SMILES:C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=KJVUYFYYJCHNKA-BPAMBQHCSA-N
Spectrum Type:Predicted GC-MS Spectrum - 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:C14H20N6O5S
Molecular Weight (Monoisotopic Mass):384.1216 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available