Predicted GC-MS Spectrum - GC-MS (TMS_3_10) - 70eV, Positive (MMDBc0011079)
Spectrum Details
| MiMe ID: | MMDBc0011079 |
|---|---|
| Compound Name: | Chaetoglobosin E |
| Derivative IUPAC Name: | (3S,3aR,6S,6aR,10S,14S,17aR)-1,14-dihydroxy-4,5,10,12-tetramethyl-3-{[1-(trimethylsilyl)-1H-indol-3-yl]methyl}-6,17-bis[(trimethylsilyl)oxy]-3H,3aH,6H,6aH,9H,10H,13H,14H,15H-cyclotrideca[d]isoindol-13-one |
| Derivative SMILES: | CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)C(C)=C(C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@H](O)C1=O |
| Derivative InChIKey: | InChIKey=PNVGWJYAKCRTNV-COWLZHEGSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_10) - 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: | C32H38N2O5 |
| Molecular Weight (Monoisotopic Mass): | 530.2781 Da |
| Derivative Type: | TMS_3_10 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References