Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 70eV, Positive (MMDBc0030447)
Spectrum Details
MiMe ID: | MMDBc0030447 |
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Compound Name: | Tetrahydrofolyl-[Glu](2) |
Derivative IUPAC Name: | 2-(4-{[4-({[2-amino-4-oxo-3-(trimethylsilyl)-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido)pentanedioic acid |
Derivative SMILES: | C[Si](C)(C)N1C(N)=NC2=C(NC(CNC3=CC=C(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C=C3)CN2)C1=O |
Derivative InChIKey: | InChIKey=LZVIWTNMGWZGNC-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 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 |
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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: | C24H30N8O9 |
Molecular Weight (Monoisotopic Mass): | 574.2136 Da |
Derivative Type: | TMS_1_10 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N1C(N)=NC2=C(NC(CNC3=CC=C(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C=C3)CN2)C1=O)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available