Predicted GC-MS Spectrum - GC-MS (TMS_5_56) - 70eV, Positive (MMDBc0000673)
Spectrum Details
| MiMe ID: | MMDBc0000673 |
|---|---|
| Compound Name: | 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid |
| Derivative IUPAC Name: | trimethylsilyl 3,4-dihydroxy-6-({6-hydroxy-4,5-bis[(trimethylsilyl)oxy]-2-{[(trimethylsilyl)oxy]carbonyl}oxan-3-yl}oxy)-5-[(trimethylsilyl)oxy]oxane-2-carboxylate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O |
| Derivative InChIKey: | InChIKey=IWHWLECLOMJUKQ-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_56) - 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: | C12H18O13 |
| Molecular Weight (Monoisotopic Mass): | 370.0747 Da |
| Derivative Type: | TMS_5_56 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available