Spectrum Details
MiMe ID:MMDBc0031150
Compound Name:tetrahydropteroyltri-L-glutamate
Derivative IUPAC Name:(2S)-2-[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-{[4-({[(6S)-4-oxo-2-[(trimethylsilyl)amino]-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}butanamido]butanamido]pentanedioic acid
Derivative SMILES:C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C=C3)N2)[NH]1
Derivative InChIKey:InChIKey=XGZYVKCBTMHOBH-TUFLPTIASA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C29H37N9O12
Molecular Weight (Monoisotopic Mass):703.2562 Da
Derivative Type:TMS_1_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C=C3)N2)[NH]1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available