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Spectrum Details
HMDB ID:HMDB0260157
Compound Name:(3S,4R,5R)-1,4,5,6-Tetrahydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(C(O)CO)C(OC1OC(CO)C(O)C(O)C1O)C(=O)CO
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - (3S,4R,5R)-1,4,5,6-Tetrahydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one GC-MS (TMS_1_3) - 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:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(C(O)CO)C(OC1OC(CO)C(O)C(O)C1O)C(=O)CO)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file739 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available