Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0008933)
Spectrum Details
| MiMe ID: | MMDBc0008933 |
|---|---|
| Compound Name: | Fumiquinazoline B |
| Derivative IUPAC Name: | (2S,9S)-2-methyl-9-{[(1R,4R)-1-methyl-6-oxo-3-[(trimethylsilyl)oxy]-1H,4H,6H-pyrazino[2,1-b]quinazolin-4-yl]methyl}-1-(trimethylsilyl)-9-[(trimethylsilyl)oxy]-1H,2H,3H,9H,9aH-imidazo[1,2-a]indol-3-one |
| Derivative SMILES: | C[C@H]1C(=O)N2C3=CC=CC=C3[C@](C[C@@H]3C(O[Si](C)(C)C)=N[C@H](C)C4=NC5=CC=CC=C5C(=O)N43)(O[Si](C)(C)C)C2N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ILMDETCTLCFVMJ-ZONOGNQESA-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: | C24H23N5O4 |
| Molecular Weight (Monoisotopic Mass): | 445.175 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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References