Predicted GC-MS Spectrum - GC-MS (TMS_5_70) - 70eV, Positive (MMDBc0054280)
Spectrum Details
| MiMe ID: | MMDBc0054280 |
|---|---|
| Compound Name: | 5-formimidoyltetrahydrofolic acid |
| Derivative IUPAC Name: | (4S)-4-{1-[4-({[(6S)-5-carboximidoyl-4-oxo-8-(trimethylsilyl)-2-[(trimethylsilyl)amino]-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(trimethylsilyl)amino)phenyl]-N-(trimethylsilyl)formamido}-5-oxo-5-[(trimethylsilyl)oxy]pentanoic acid |
| Derivative SMILES: | C[Si](C)(C)NC1=NC2=C(C(=O)N1)N(C=N)[C@@H](CN(C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C)CN2[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FRDRGDHEVIQPHU-NSOVKSMOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_70) - 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: | C20H24N8O6 |
| Molecular Weight (Monoisotopic Mass): | 472.1819 Da |
| Derivative Type: | TMS_5_70 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References