Predicted GC-MS Spectrum - Somniferine GC-MS (TBDMS_2_1) - 70eV, Positive (HMDB0038585)
Spectrum Details
| HMDB ID: | HMDB0038585 |
|---|---|
| Compound Name: | Somniferine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC=C2[C@H]3CC4=CC=C(OC)C5=C4[C@@]2(C[C@@H](C2=C[C@@]4(O[Si](C)(C)C(C)(C)C)[C@H]6CC7=CC=C(O[Si](C)(C)C(C)(C)C)C8=C7[C@@]4(CCN6C)[C@@H](O8)C2=O)N3C)[C@H]1O5 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Somniferine GC-MS (TBDMS_2_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: | C36H36N2O7 |
| Molecular Weight (Monoisotopic Mass): | 608.2523 Da |
| Derivative Type: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC=C2[C@H]3CC4=CC=C(OC)C5=C4[C@@]2(C[C@@H](C2=C[C@@]4(O[Si](C)(C)C(C)(C)C)[C@H]6CC7=CC=C(O[Si](C)(C)C(C)(C)C)C8=C7[C@@]4(CCN6C)[C@@H](O8)C2=O)N3C)[C@H]1O5)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available