Predicted GC-MS Spectrum - GC-MS (TBDMS_3_6) - 70eV, Positive (MMDBc0049006)
Spectrum Details
| MiMe ID: | MMDBc0049006 |
|---|---|
| Compound Name: | Starch, Structure 2 (1,6-{2[1,4-Glc], [1,4-Glc]}) |
| Derivative IUPAC Name: | 6-[({4-[(tert-butyldimethylsilyl)oxy]-6-{[(tert-butyldimethylsilyl)oxy]methyl}-5-[(6-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyoxan-2-yl}oxy)methyl]oxane-2,3,4,5-tetrol |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O |
| Derivative InChIKey: | InChIKey=CHGRMGLDVVUANG-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_3_6) - 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: | C18H32O16 |
| Molecular Weight (Monoisotopic Mass): | 504.169 Da |
| Derivative Type: | TBDMS_3_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available