Predicted GC-MS Spectrum - GC-MS (TMS_4_419) - 70eV, Positive (MMDBc0030056)
Spectrum Details
MiMe ID: | MMDBc0030056 |
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Compound Name: | D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose |
Derivative IUPAC Name: | (2R,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-4,5,6-trihydroxy-3-{[(2R,3R,4R,5S,6R)-3-hydroxy-4,5-bis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}hexanal |
Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]([C@H](C=O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=AKZWDTWAQSCFHX-GZQIZSNRSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_419) - 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 |
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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_419 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
mzML formatted file (MZML) | Download file | 4.64 KB |
References