Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0016175)
Spectrum Details
| MiMe ID: | MMDBc0016175 |
|---|---|
| Compound Name: | Malbranpyrrole B |
| Derivative IUPAC Name: | 2,3,3,7-tetramethyl-6-[(1E,3E)-3-methyl-4-[1-(trimethylsilyl)-1H-pyrrol-2-yl]buta-1,3-dien-1-yl]-2H,3H,4H-furo[3,2-c]pyran-4-one |
| Derivative SMILES: | CC(/C=C/C1=C(C)C2=C(C(=O)O1)C(C)(C)C(C)O2)=C\C1=CC=CN1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IQWQFGJENSICNX-TVYVBBRWNA-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: | C20H23NO3 |
| Molecular Weight (Monoisotopic Mass): | 325.1678 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 | 782 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References