Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive (MMDBc0032002)
Spectrum Details
| MiMe ID: | MMDBc0032002 |
|---|---|
| Compound Name: | N5-Formyl-THF |
| Derivative IUPAC Name: | 2-{[4-({[5-formyl-2-imino-8-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-1,2,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid |
| Derivative SMILES: | C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N(C=O)C(CNC1=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C=C1)CN2[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RZNZAAMCQGSRDR-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 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_13 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N(C=O)C(CNC1=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C=C1)CN2[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available