Spectrum Details
CDB ID:CDB005104
Compound Name:Argininosuccinic acid
Derivative IUPAC Name:(2S)-2-amino-5-{N'-[(2S)-3-carboxy-1-oxo-1-[(trimethylsilyl)oxy]propan-2-yl]-N'-(trimethylsilyl)carbamimidamido}pentanoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C
Derivative InChIKey:InChIKey=RWYHVRVNDVUYPY-RYUDHWBXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 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:C10H18N4O6
Molecular Weight (Monoisotopic Mass):290.1226 Da
Derivative Type:TMS_2_9
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file757 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available