Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 70eV, Positive (MMDBc0004272)
Spectrum Details
| MiMe ID: | MMDBc0004272 |
|---|---|
| Compound Name: | Fumigatoside C |
| Derivative IUPAC Name: | (2S,9S,9aS)-9-{[(1R,4S)-3-hydroxy-1-methyl-6-oxo-1H,4H,6H-pyrazino[2,1-b]quinazolin-4-yl]methyl}-1-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]-2-methyl-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)=N[C@H](C)C4=NC5=CC=CC=C5C(=O)N43)(O[Si](C)(C)C)[C@H]2N1[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=AUIWVSMMXPMABI-JXXRNFDSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 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: | C30H33N5O9 |
| Molecular Weight (Monoisotopic Mass): | 607.2278 Da |
| Derivative Type: | TMS_4_9 |
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