Predicted GC-MS Spectrum - GC-MS (TMS_4_24) - 70eV, Positive (MMDBc0056105)
Spectrum Details
| MiMe ID: | MMDBc0056105 |
|---|---|
| Compound Name: | N-(3-O-phospho-D-erythrulosyl)-cadaverine |
| Derivative IUPAC Name: | {[(2R)-4-({5-[bis(trimethylsilyl)amino]pentyl}amino)-1-hydroxy-3-[(trimethylsilyl)oxy]but-3-en-2-yl]oxy}[(trimethylsilyl)oxy]phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)OC(=CNCCCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)OP(=O)(O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=NQXOTJKYEYNYJS-OAQYLSRUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_24) - 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: | C9H21N2O6P |
| Molecular Weight (Monoisotopic Mass): | 284.1137 Da |
| Derivative Type: | TMS_4_24 |
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 | 4.64 KB |
References