Spectrum Details
MiMe ID:MMDBc0031728
Compound Name:Meso-2,6-Diaminoheptanedioate
Derivative IUPAC Name:(2S,6R)-2-amino-7-oxo-6-[(trimethylsilyl)amino]-7-[(trimethylsilyl)oxy]heptanoic acid
Derivative SMILES:C[Si](C)(C)N[C@H](CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=OXINZTMMYRHRPD-WDEREUQCSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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:C7H14N2O4
Molecular Weight (Monoisotopic Mass):190.0954 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file770 Bytes
mzML formatted file (MZML)Download file4.63 KB
References