Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0024474)
Spectrum Details
| MiMe ID: | MMDBc0024474 |
|---|---|
| Compound Name: | Yamchaetoglobosin A |
| Derivative IUPAC Name: | methyl 4-[(1S,3aS,4R,5S,7S,7aR)-4-[(1E,4S,5E)-4,6-dimethyl-7-oxohepta-1,5-dien-1-yl]-1-[(1H-indol-3-yl)methyl]-7-methyl-6-methylidene-3,5-bis[(trimethylsilyl)oxy]-3a,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]-4-oxobutanoate |
| Derivative SMILES: | C=C1[C@@H](O[Si](C)(C)C)[C@H](/C=C/C[C@H](C)/C=C(\C)C=O)[C@]2(C(=O)CCC(=O)OC)C(O[Si](C)(C)C)=N[C@@H](CC3=CNC4=CC=CC=C34)[C@@H]2[C@@H]1C |
| Derivative InChIKey: | InChIKey=IXHRIPOIONRPEL-QTBHMXDXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C33H40N2O6 |
| Molecular Weight (Monoisotopic Mass): | 560.2886 Da |
| Derivative Type: | TMS_2_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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References