Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0017377)
Spectrum Details
| MiMe ID: | MMDBc0017377 |
|---|---|
| Compound Name: | Terrelumamide A |
| Derivative IUPAC Name: | (2S,3R)-2-{[hydroxy(4-hydroxy-1-methyl-2-oxo-1,2-dihydropteridin-6-yl)methylidene]amino}-N-[2-(methoxycarbonyl)phenyl]-3-[(trimethylsilyl)oxy]butanimidic acid |
| Derivative SMILES: | COC(=O)C1=CC=CC=C1N=C(O)[C@@H](N=C(O)C1=CN=C2C(=N1)C(O)=NC(=O)N2C)[C@@H](C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ICMDFFOCVKJHLW-WBMJQRKESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C20H20N6O7 |
| Molecular Weight (Monoisotopic Mass): | 456.1393 Da |
| Derivative Type: | TMS_1_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References