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_2_2) - 70eV, Positive (HMDB0260157)
Spectrum Details
HMDB ID: | HMDB0260157 |
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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)OCC(O)C(O[Si](C)(C)C)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_2_2) - 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: | C12H22O11 |
Molecular Weight (Monoisotopic Mass): | 342.1162 Da |
Derivative Type: | TMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(=O)CO)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available