Predicted GC-MS Spectrum - (Z)-2-((3R,4S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid GC-MS (TBDMS_2_2) - 70eV, Positive (HMDB0260210)
Spectrum Details
| HMDB ID: | HMDB0260210 |
|---|---|
| Compound Name: | (Z)-2-((3R,4S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (Z)-2-((3R,4S,8S,9S,10S,11R,13R,14S,16S)-16-Acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid GC-MS (TBDMS_2_2) - 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: | C31H48O6 |
| Molecular Weight (Monoisotopic Mass): | 516.3451 Da |
| Derivative Type: | TBDMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 761 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available