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Spectrum Details
HMDB ID:HMDB0001902
Compound Name:Pteroyltriglutamic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(=O)C(CCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCC(NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Pteroyltriglutamic acid 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:C29H33N9O12
Molecular Weight (Monoisotopic Mass):699.2249 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C(CCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCC(NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available