Spectrum Details
T3DB ID:T3D4294
Compound Name:Argininosuccinic acid
Derivative IUPAC Name:(3S)-3-{N'-[(4S)-4-amino-5-oxo-5-[(trimethylsilyl)oxy]pentyl]carbamimidamido}-4-oxo-4-[(trimethylsilyl)oxy]butanoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=FNACSRPEKSXTMW-RYUDHWBXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 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_7
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available