Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0055369)
Spectrum Details
| MiMe ID: | MMDBc0055369 |
|---|---|
| Compound Name: | 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone |
| Derivative IUPAC Name: | 3-methyl-2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2-[(trimethylsilyl)oxy]-1,2,3,4-tetrahydronaphthalene-1,4-dione |
| Derivative SMILES: | C/C(=C\CC1(O[Si](C)(C)C)C(=O)C2=CC=CC=C2C(=O)C1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
| Derivative InChIKey: | InChIKey=PBMZECVVYLLAQP-WQQIXBBZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_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: | C31H48O3 |
| Molecular Weight (Monoisotopic Mass): | 468.3603 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References