Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0000858)
Spectrum Details
| MiMe ID: | MMDBc0000858 |
|---|---|
| Compound Name: | Terreulactone C |
| Derivative IUPAC Name: | 7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-9-[(trimethylsilyl)oxy]-1,5a,6,7,7a,8,11,11a,11b,12-decahydro-2,5-dioxatetraphen-1-one |
| Derivative SMILES: | COC1=CC=C(C2=CC3=C(CC4(O)C(C)(CCC5(O)C(C)(C)C(O[Si](C)(C)C)=CCC45C)O3)C(=O)O2)C=C1 |
| Derivative InChIKey: | InChIKey=VCFMPSKWMHNNLA-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C27H32O7 |
| Molecular Weight (Monoisotopic Mass): | 468.2148 Da |
| Derivative Type: | TMS_1_3 |
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