Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0031759)
Spectrum Details
| MiMe ID: | MMDBc0031759 |
|---|---|
| Compound Name: | (Z)-2-Methyl-ureidoacrylate peracid |
| Derivative IUPAC Name: | (2Z)-2-methyl-3-{2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-diaza-2,6-disilahept-4-en-3-yl}prop-2-eneperoxoic acid |
| Derivative SMILES: | C/C(=C/N(C(=N[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)OO |
| Derivative InChIKey: | InChIKey=QBCXHTMRZZKPCD-NAZRCLPASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 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: | C5H8N2O4 |
| Molecular Weight (Monoisotopic Mass): | 160.0484 Da |
| Derivative Type: | TMS_3_1 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References