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Sugar
SpectraBase Compound ID LXuUsjbdAM0
InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey CZMRCDWAGMRECN-UGDNZRGBSA-N
Mol Weight 342.3 g/mol
Molecular Formula C12H22O11
Exact Mass 342.116212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdRZHi9qEyR
Name Sucrose, 11TMS
Classification O-glycosyl compounds
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 342.116211517 u
Formula C12H22O11
InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey CZMRCDWAGMRECN-UGDNZRGBSA-N
Molecular Weight 342.297 g/mol
Nominal Mass 342 u
Number of Peaks 232
SMILES OC[C@]1(O[C@]2(O[C@@]([C@]([C@@]([C@]2(O)[H])(O)[H])(O)[H])(CO)[H])[H])[C@]([C@@]([C@@](CO)(O1)[H])(O)[H])(O)[H]
SPLASH splash10-0i01-0932000000-a84ab9868385a177391a
Sample Description Non-derivatized structure shown; Derivatization type: 11 TMS (mass: 1134.551); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000146 Note: The molecular formula of the structure shown is C12H22O11 - which differs from the formula reported for the mass spectrum (C45H110O11Si11)
Source of Spectrum FM-2019-146-0
Synonyms saccharose, 11TMS sugar, 11TMS Cane sugar, 11TMS Table sugar, 11TMS Rohrzucker, 11TMS (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 11TMS (2R,3R,4S,5S,6R)-2-(((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Wiley ID 1817839