Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (T3D4251)
Spectrum Details
| T3DB ID: | T3D4251 |
|---|---|
| Compound Name: | D-2-Hydroxyglutaric acid |
| Derivative IUPAC Name: | (4R)-5-oxo-4,5-bis[(trimethylsilyl)oxy]pentanoic acid |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MXADRWOVCHPZPP-SECBINFHSA-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: | C5H8O5 |
| Molecular Weight (Monoisotopic Mass): | 148.0372 Da |
| Derivative Type: | TMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available