Predicted GC-MS Spectrum - GC-MS (TMS_4_2) - 70eV, Positive (MMDBc0055096)
Spectrum Details
| MiMe ID: | MMDBc0055096 |
|---|---|
| Compound Name: | 1-(3,4,5-trihydroxy-7-methoxynaphthalen-2-yl)propan-2-one |
| Derivative IUPAC Name: | ({6-methoxy-2,8-bis[(trimethylsilyl)oxy]-3-{2-[(trimethylsilyl)oxy]prop-2-en-1-yl}naphthalen-1-yl}oxy)trimethylsilane |
| Derivative SMILES: | C=C(CC1=CC2=CC(OC)=CC(O[Si](C)(C)C)=C2C(O[Si](C)(C)C)=C1O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CNJUJOFASPKKJF-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_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: | C14H14O5 |
| Molecular Weight (Monoisotopic Mass): | 262.0841 Da |
| Derivative Type: | TMS_4_2 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References