Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0013248)
Spectrum Details
| MiMe ID: | MMDBc0013248 |
|---|---|
| Compound Name: | Terreulactone B |
| Derivative IUPAC Name: | (5aR,7aS,11aS,11bS)-7a-hydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-11b-[(trimethylsilyl)oxy]-1,5a,6,7,7a,8,9,11a,11b,12-decahydro-2,5-dioxatetraphene-1,9-dione |
| Derivative SMILES: | COC1=CC=C(C2=CC3=C(C[C@]4(O[Si](C)(C)C)[C@@]5(C)C=CC(=O)C(C)(C)[C@]5(O)CC[C@@]4(C)O3)C(=O)O2)C=C1 |
| Derivative InChIKey: | InChIKey=QRTYBGVGUXGZMM-KJHMZRPRSA-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: | C27H30O7 |
| Molecular Weight (Monoisotopic Mass): | 466.1992 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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References