Predicted GC-MS Spectrum - GC-MS (TMS_4_4) - 70eV, Positive (MMDBc0031980)
Spectrum Details
| MiMe ID: | MMDBc0031980 |
|---|---|
| Compound Name: | 3b-Allotetrahydrocortisol |
| Derivative IUPAC Name: | trimethylsilyl (2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[bis(trimethylsilyl)amino]-3-[(trimethylsilyl)carbamoyl]propanamido]-3-selanylpropanamido]-4-methylpentanamido]-4-methylpentanoate |
| Derivative SMILES: | CC(C)C[C@H](NC(=O)[C@H](C[SeH])NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IFOCYWCVOKYCGQ-CQJMVLFOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_4) - 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: | C19H35N5O6Se |
| Molecular Weight (Monoisotopic Mass): | 509.1753 Da |
| Derivative Type: | TMS_4_4 |
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 | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References