Spectrum Details
MiMe ID:MMDBc0054851
Compound Name:(2S)-2-amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoic acid
Derivative IUPAC Name:(2R)-3-(1H-imidazol-5-yl)-2-[(6S)-2,2,8,8-tetramethyl-7-(trimethylsilyl)-6-{[(trimethylsilyl)oxy]carbonyl}-3,7-diaza-2,8-disilanonan-3-yl]propanoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)[C@H](CCN([C@H](CC1=CN=CN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Derivative InChIKey:InChIKey=BPLJKIYIHWDXJO-VQTJNVASSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_8) - 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:C10H16N4O4
Molecular Weight (Monoisotopic Mass):256.1172 Da
Derivative Type:TMS_4_8
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file769 Bytes
mzML formatted file (MZML)Download file4.63 KB
References