Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 70eV, Positive (CDB005118)
Spectrum Details
| CDB ID: | CDB005118 |
|---|---|
| Compound Name: | 10-Formyltetrahydrofolate |
| Derivative IUPAC Name: | (2S)-2-{[4-(N-{[4-oxo-5-(trimethylsilyl)-2-[(trimethylsilyl)amino]-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}formamido)phenyl]formamido}pentanedioic acid |
| Derivative SMILES: | C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2[Si](C)(C)C)[NH]1 |
| Derivative InChIKey: | InChIKey=ALXBKNBBRRUQTR-GGYWPGCISA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 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_2_16 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)N2[Si](C)(C)C)[NH]1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available