Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0019225)
Spectrum Details
| MiMe ID: | MMDBc0019225 |
|---|---|
| Compound Name: | (R)-10-(3-succinimidyl)-TMC-256A1 |
| Derivative IUPAC Name: | (3R)-5-hydroxy-3-{5-hydroxy-6-methoxy-2-methyl-8-oxo-4-[(trimethylsilyl)oxy]-8H-cyclohexa[g]chromen-10-yl}-3,4-dihydro-2H-pyrrol-2-one |
| Derivative SMILES: | COC1=CC(=O)C=C2C([C@H]3CC(O)=NC3=O)=C3OC(C)=CC(O[Si](C)(C)C)=C3C(O)=C12 |
| Derivative InChIKey: | InChIKey=PMHZMGKWXBLTQQ-CYBMUJFWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C19H15NO7 |
| Molecular Weight (Monoisotopic Mass): | 369.0849 Da |
| Derivative Type: | TMS_1_2 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References