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Spectrum Details
T3DB ID:T3D2698
Compound Name:Folic acid
Derivative IUPAC Name:(2S)-2-{[4-({[2-amino-4-oxo-1-(trimethylsilyl)-1,4-dihydropteridin-6-yl]methyl}(trimethylsilyl)amino)phenyl]formamido}pentanedioic acid
Derivative SMILES:C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 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:C19H19N7O6
Molecular Weight (Monoisotopic Mass):441.1397 Da
Derivative Type:TMS_2_14
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.68 KB
Not Available