Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (MMDBc0018772)
Spectrum Details
| MiMe ID: | MMDBc0018772 |
|---|---|
| Compound Name: | Hericenone C |
| Derivative IUPAC Name: | {3-[(tert-butyldimethylsilyl)oxy]-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-5-methoxyphenyl}methyl hexadecanoate |
| Derivative SMILES: | CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C/C=C(\C)CC(=O)C=C(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C=O |
| Derivative InChIKey: | InChIKey=ZOSRJTONKKDNSC-INKHBPHZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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: | C35H54O6 |
| Molecular Weight (Monoisotopic Mass): | 570.392 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C/C=C(\C)CC(=O)C=C(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available