Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0000035)
Spectrum Details
| MiMe ID: | MMDBc0000035 |
|---|---|
| Compound Name: | D-Glucuronic acid |
| Derivative IUPAC Name: | (2S,3R,4S,5R,6S)-3,5,6-trihydroxy-4-[(trimethylsilyl)oxy]oxane-2-carboxylic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](C(=O)O)[C@H]1O |
| Derivative InChIKey: | InChIKey=PQIBASODUNPYEQ-MHYOJZRLSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C6H10O7 |
| Molecular Weight (Monoisotopic Mass): | 194.0427 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](C(=O)O)[C@H]1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 741 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available