Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0008974)
Spectrum Details
| MiMe ID: | MMDBc0008974 |
|---|---|
| Compound Name: | Polanrazine B |
| Derivative IUPAC Name: | (3R,6R)-3,6-bis(methylsulfanyl)-6-(propan-2-yl)-3-{[1-(trimethylsilyl)-1H-indol-3-yl]methyl}-5-[(trimethylsilyl)oxy]-3,6-dihydropyrazin-2-ol |
| Derivative SMILES: | CS[C@@]1(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)N=C(O[Si](C)(C)C)[C@](SC)(C(C)C)N=C1O |
| Derivative InChIKey: | InChIKey=SFQXLDXIUMFRPW-DNQXCXABSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C18H23N3O2S2 |
| Molecular Weight (Monoisotopic Mass): | 377.1232 Da |
| Derivative Type: | TMS_2_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References