Spectrum Details
MiMe ID:MMDBc0029547
Compound Name:5-Methyltetrahydropteroyltri-L-glutamic acid
Derivative IUPAC Name:(4S)-5-[(1-{[(2S)-2-amino-4-carboxybutanoyl]oxy}-1-(4-{[(2S)-2-amino-5-oxo-5-[(trimethylsilyl)oxy]pentanoyl]oxy}-5-methyl-2-[(trimethylsilyl)imino]-1,2,5,8-tetrahydropteridin-6-yl)propan-2-yl)oxy]-5-oxo-4-[(trimethylsilyl)amino]pentanoic acid
Derivative SMILES:CC(OC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(OC(=O)[C@@H](N)CCC(=O)O)C1=CNC2=C(C(OC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)=NC(=N[Si](C)(C)C)N2)N1C
Derivative InChIKey:InChIKey=AIEUXYOSQDVAEY-BTOCIMNBSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_19) - 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:C25H36N8O12
Molecular Weight (Monoisotopic Mass):640.2453 Da
Derivative Type:TMS_3_19
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file775 Bytes
mzML formatted file (MZML)Download file4.64 KB
References