Spectrum Details
MiMe ID:MMDBc0031149
Compound Name:5-methyltetrahydropteroyltri-L-glutamate
Derivative IUPAC Name:(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-5-oxo-5-[(trimethylsilyl)oxy]pentanamido]pentanedioic acid
Derivative SMILES:CN1C2=C(NC[C@@H]1CNC1=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[Si](C)(C)C)C(=O)O)C=C1)[NH]C(N)=NC2=O
Derivative InChIKey:InChIKey=NAHMIPHXMCGKBV-CMOCDZPBSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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:C30H39N9O12
Molecular Weight (Monoisotopic Mass):717.2718 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN1C2=C(NC[C@@H]1CNC1=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[Si](C)(C)C)C(=O)O)C=C1)[NH]C(N)=NC2=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available