Predicted GC-MS Spectrum - (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-3-Chloro-2-[dichloro(hydroxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol GC-MS (TMS_2_5) - 70eV, Positive (HMDB0260123)
Spectrum Details
| HMDB ID: | HMDB0260123 |
|---|---|
| Compound Name: | (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-3-Chloro-2-[dichloro(hydroxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OCC1OC(OC2OC(CO)C(O)C(O)C2O)(C(Cl)(Cl)O[Si](C)(C)C)C(O)(Cl)C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-3-Chloro-2-[dichloro(hydroxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol GC-MS (TMS_2_5) - 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: | C12H19Cl3O11 |
| Molecular Weight (Monoisotopic Mass): | 443.9993 Da |
| Derivative Type: | TMS_2_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OCC1OC(OC2OC(CO)C(O)C(O)C2O)(C(Cl)(Cl)O[Si](C)(C)C)C(O)(Cl)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available