Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive (MMDBc0010153)
Spectrum Details
| MiMe ID: | MMDBc0010153 |
|---|---|
| Compound Name: | Hericenone D |
| Derivative IUPAC Name: | {4-[(2E)-5-[(tert-butyldimethylsilyl)oxy]-3,7-dimethylocta-2,4,6-trien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate |
| Derivative SMILES: | CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C/C=C(\C)C=C(C=C(C)C)O[Si](C)(C)C(C)(C)C)C(O)=C1C=O |
| Derivative InChIKey: | InChIKey=CYYULVHNFXXUHO-JBYXNAJQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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: | C37H58O6 |
| Molecular Weight (Monoisotopic Mass): | 598.4233 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C/C=C(\C)C=C(C=C(C)C)O[Si](C)(C)C(C)(C)C)C(O)=C1C=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available