Predicted GC-MS Spectrum - GC-MS (TMS_4_56) - 70eV, Positive (MMDBc0016101)
Spectrum Details
| MiMe ID: | MMDBc0016101 |
|---|---|
| Compound Name: | Fumonisin AK1 |
| Derivative IUPAC Name: | 2-(2-{[4-(hexan-2-ylidene)-9-hydroxy-16-{1-[(1-hydroxyethylidene)amino]ethyl}-2,2,7,18,18-pentamethyl-14-[(trimethylsilyl)oxy]-3,17-dioxa-2,18-disilanonadecan-5-yl]oxy}-2-oxoethyl)-4-[(trimethylsilyl)oxy]pent-3-enoic acid |
| Derivative SMILES: | CCCCC(C)=C(O[Si](C)(C)C)C(CC(C)CC(O)CCCCC(CC(O[Si](C)(C)C)C(C)N=C(C)O)O[Si](C)(C)C)OC(=O)CC(C=C(C)O[Si](C)(C)C)C(=O)O |
| Derivative InChIKey: | InChIKey=VOAWPGDWEXRLPU-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_56) - 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: | C31H55NO10 |
| Molecular Weight (Monoisotopic Mass): | 601.3826 Da |
| Derivative Type: | TMS_4_56 |
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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References