Predicted GC-MS Spectrum - Fasciculic acid B GC-MS (TMS_3_1) - 70eV, Positive (HMDB0036438)
Spectrum Details
| HMDB ID: | HMDB0036438 |
|---|---|
| Compound Name: | Fasciculic acid B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C1CCC2(C)C3=C(CC(O[Si](C)(C)C)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(=O)O)C(O)C(C)(C)C1CC3 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Fasciculic acid B 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: | C36H60O9 |
| Molecular Weight (Monoisotopic Mass): | 636.4237 Da |
| Derivative Type: | TMS_3_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C1CCC2(C)C3=C(CC(O[Si](C)(C)C)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(=O)O)C(O)C(C)(C)C1CC3)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 760 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available