Predicted GC-MS Spectrum - Neoacrimarine B GC-MS (TMS_3_3) - 70eV, Positive (HMDB0040385)
Spectrum Details
| HMDB ID: | HMDB0040385 |
|---|---|
| Compound Name: | Neoacrimarine B |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=CC(C)(C)C1=CC2=C(O[Si](C)(C)C)C3=C(OC(C)(C)CC3C3=C(OC)C=C(O)C4=C3N([Si](C)(C)C)C3=C(OC)C(O[Si](C)(C)C)=CC=C3C4=O)C(C(C)(C)C=C)=C2OC1=O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Neoacrimarine B GC-MS (TMS_3_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: | C39H41NO9 |
| Molecular Weight (Monoisotopic Mass): | 667.2781 Da |
| Derivative Type: | TMS_3_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=CC(C)(C)C1=CC2=C(O[Si](C)(C)C)C3=C(OC(C)(C)CC3C3=C(OC)C=C(O)C4=C3N([Si](C)(C)C)C3=C(OC)C(O[Si](C)(C)C)=CC=C3C4=O)C(C(C)(C)C=C)=C2OC1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 759 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available