Predicted GC-MS Spectrum - Janthitrem B GC-MS (TBDMS_2_5) - 70eV, Positive (HMDB0030528)
Spectrum Details
| HMDB ID: | HMDB0030528 |
|---|---|
| Compound Name: | Janthitrem B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C(C)C1OC2CCC3(C)C(O[Si](C)(C)C(C)(C)C)(CCC4CC5=C(N([Si](C)(C)C(C)(C)C)C6=CC7=C(C=C56)C(O)C5C7=CC(C)(C)OC5(C)C)C43C)C2=CC1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Janthitrem B GC-MS (TBDMS_2_5) - 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: | C37H47NO5 |
| Molecular Weight (Monoisotopic Mass): | 585.3454 Da |
| Derivative Type: | TBDMS_2_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(C)C1OC2CCC3(C)C(O[Si](C)(C)C(C)(C)C)(CCC4CC5=C(N([Si](C)(C)C(C)(C)C)C6=CC7=C(C=C56)C(O)C5C7=CC(C)(C)OC5(C)C)C43C)C2=CC1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available