Predicted GC-MS Spectrum - GC-MS (TMS_4_144) - 70eV, Positive (CDB004902)
Spectrum Details
| CDB ID: | CDB004902 |
|---|---|
| Compound Name: | Maltotriose |
| Derivative IUPAC Name: | (2R,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6R)-6-{[(2R,3S,4S,5R)-4,6-dihydroxy-5-[(trimethylsilyl)oxy]-2-{[(trimethylsilyl)oxy]methyl}oxan-3-yl]oxy}-2-(hydroxymethyl)-4,5-bis[(trimethylsilyl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
| Derivative SMILES: | C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=IVHWKZKTUWQPTH-NLVXBHCYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_144) - 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: | TMS_4_144 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available