Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0025885)
Spectrum Details
| MiMe ID: | MMDBc0025885 |
|---|---|
| Compound Name: | Anthcolorin H |
| Derivative IUPAC Name: | (3R)-3-{[(2S,4aR,5S,6S,8aS)-5,8a-dimethyl-1-methylidene-5-(4-methylpent-3-en-1-yl)-6-[(trimethylsilyl)oxy]-decahydronaphthalen-2-yl]methyl}-2,3-bis[(trimethylsilyl)oxy]-3H-indole |
| Derivative SMILES: | C=C1[C@H](C[C@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=NC3=CC=CC=C32)CC[C@@H]2[C@]1(C)CC[C@H](O[Si](C)(C)C)[C@@]2(C)CCC=C(C)C |
| Derivative InChIKey: | InChIKey=NDHKIZPRVBUQNM-XUGXLVEVSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C28H39NO3 |
| Molecular Weight (Monoisotopic Mass): | 437.293 Da |
| Derivative Type: | TMS_3_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 | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References