Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 70eV, Positive (MMDBc0054363)
Spectrum Details
MiMe ID: | MMDBc0054363 |
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Compound Name: | beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate |
Derivative IUPAC Name: | {[(2R,3S,4S,5S)-5-{[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}phosphonic acid |
Derivative SMILES: | C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O |
Derivative InChIKey: | InChIKey=RCZZLNDHNQEJIP-NBGXWJMXSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 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: | C12H23O14P |
Molecular Weight (Monoisotopic Mass): | 422.0825 Da |
Derivative Type: | TMS_3_9 |
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 | 4.63 KB |
References