Spectrum Details
MiMe ID:MMDBc0009417
Compound Name:Glutathionylspermidine I
Derivative IUPAC Name:5-[(1-{[2-({3-[(4-aminobutyl)amino]propyl}imino)-2-[(trimethylsilyl)oxy]ethyl]imino}-1-[(trimethylsilyl)oxy]-3-[(trimethylsilyl)sulfanyl]propan-2-yl)imino]-2-[(trimethylsilyl)amino]-5-[(trimethylsilyl)oxy]pentanoic acid
Derivative SMILES:C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=NCCCNCCCCN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=DMAZKHPPXZXCMT-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_5_5) - 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:C17H34N6O5S
Molecular Weight (Monoisotopic Mass):434.2311 Da
Derivative Type:TMS_5_5
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References