Spectrum Details
MiMe ID:MMDBc0000060
Compound Name:Alpha-Lactose
Derivative IUPAC Name:(2R,3R,4S,5R,6S)-5-[(tert-butyldimethylsilyl)oxy]-6-{[(2R,3R,4R,5R,6S)-4-[(tert-butyldimethylsilyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-5,6-dihydroxyoxan-3-yl]oxy}-2-{[(tert-butyldimethylsilyl)oxy]methyl}oxane-3,4-diol
Derivative SMILES:CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O
Derivative InChIKey:InChIKey=XEKPHLAYRMEALA-IRPHYWHVSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_4_10) - 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:C12H22O11
Molecular Weight (Monoisotopic Mass):342.1162 Da
Derivative Type:TBDMS_4_10
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available