Predicted GC-MS Spectrum - GC-MS (TMS_4_35) - 70eV, Positive (MMDBc0033012)
Spectrum Details
| MiMe ID: | MMDBc0033012 |
|---|---|
| Compound Name: | 10-Formyltetrahydrofolic acid |
| Derivative IUPAC Name: | (4S)-5-oxo-4-{1-[4-(N-{[(6S)-4-oxo-8-(trimethylsilyl)-2-[(trimethylsilyl)amino]-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}formamido)phenyl]-N-(trimethylsilyl)formamido}-5-[(trimethylsilyl)oxy]pentanoic acid |
| Derivative SMILES: | C[Si](C)(C)NC1=NC2=C(N[C@@H](CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1 |
| Derivative InChIKey: | InChIKey=PFBADNYUZGNDMO-ZCYQVOJMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_35) - 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: | C20H23N7O7 |
| Molecular Weight (Monoisotopic Mass): | 473.1659 Da |
| Derivative Type: | TMS_4_35 |
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