Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0009329)
Spectrum Details
| MiMe ID: | MMDBc0009329 |
|---|---|
| Compound Name: | Fusarin F |
| Derivative IUPAC Name: | methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1S,4S,5S)-3-hydroxy-1-(2-hydroxyethyl)-4-[(trimethylsilyl)oxy]-6-oxa-2-azabicyclo[3.1.0]hex-2-en-4-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate |
| Derivative SMILES: | C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@@]1(O[Si](C)(C)C)C(O)=N[C@@]2(CCO)O[C@H]21)C(=O)OC |
| Derivative InChIKey: | InChIKey=NYQMJDPSZUHPOZ-NLDCUEHXSA-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: | C23H29NO7 |
| Molecular Weight (Monoisotopic Mass): | 431.1944 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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References