Spectrum Details
MiMe ID:MMDBc0013718
Compound Name:AS-I toxin
Derivative IUPAC Name:2-{[2-({2-[(2-amino-1,3-dihydroxypropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1-[(trimethylsilyl)oxy]ethylidene]amino}-5-oxo-5-[(trimethylsilyl)oxy]pentanoic acid
Derivative SMILES:CC(C)C(N=C(O)C(N)CO)C(O)=NCC(=NC(CCC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=KYMMVUFKFQIFFL-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 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:C15H26N4O8
Molecular Weight (Monoisotopic Mass):390.1751 Da
Derivative Type:TMS_2_16
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file781 Bytes
mzML formatted file (MZML)Download file4.64 KB
References