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Xylose 4HFB
SpectraBase Compound ID 72xP2MOaaKh
InChI InChI=1S/C21H6F28O9/c22-10(23,14(30,31)18(38,39)40)6(50)55-2-1-54-5(58-9(53)13(28,29)17(36,37)21(47,48)49)4(57-8(52)12(26,27)16(34,35)20(44,45)46)3(2)56-7(51)11(24,25)15(32,33)19(41,42)43/h2-5H,1H2
InChIKey NNUGUKLUWDQMPK-UHFFFAOYSA-N
Mol Weight 934.23 g/mol
Molecular Formula C21H6F28O9
Exact Mass 933.95647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dpImn96ZAR
Name Arabinose 4HFB
Classification Sugar
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Exact Mass 933.956470328 u
Formula C21H6F28O9
InChI InChI=1S/C21H6F28O9/c22-10(23,14(30,31)18(38,39)40)6(50)55-2-1-54-5(58-9(53)13(28,29)17(36,37)21(47,48)49)4(57-8(52)12(26,27)16(34,35)20(44,45)46)3(2)56-7(51)11(24,25)15(32,33)19(41,42)43/h2-5H,1H2
InChIKey NNUGUKLUWDQMPK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 934.225 g/mol
SMILES C1(OC(C(C(F)(F)C(F)(F)F)(F)F)=O)C(C(C(OC1)OC(C(F)(F)C(F)(F)C(F)(F)F)=O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O
SPLASH splash10-014i-6970100000-d5bcc72de4fae29dc23b
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5799