Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0012026)
Spectrum Details
| MiMe ID: | MMDBc0012026 |
|---|---|
| Compound Name: | Fumiformamide |
| Derivative IUPAC Name: | N-{3-[(hydroxymethylidene)amino]-4-(4-methoxyphenyl)-1-[4-({[(trimethylsilyl)oxy]sulfonyl}oxy)phenyl]buta-1,3-dien-2-yl}carboximidic acid |
| Derivative SMILES: | COC1=CC=C(C=C(N=CO)C(=CC2=CC=C(OS(=O)(=O)O[Si](C)(C)C)C=C2)N=CO)C=C1 |
| Derivative InChIKey: | InChIKey=DVWGILNMDWYMSU-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C19H18N2O7S |
| Molecular Weight (Monoisotopic Mass): | 418.0835 Da |
| Derivative Type: | TMS_1_3 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References