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Fructose 5TFA
SpectraBase Compound ID CQTYWg4QVwT
InChI InChI=1S/C16H7F15O11/c17-12(18,19)6(32)37-2-11(42-10(36)16(29,30)31)5(41-9(35)15(26,27)28)4(40-8(34)14(23,24)25)3(1-38-11)39-7(33)13(20,21)22/h3-5H,1-2H2
InChIKey TVXVQZUZYLRUBY-UHFFFAOYSA-N
Mol Weight 660.2 g/mol
Molecular Formula C16H7F15O11
Exact Mass 659.974883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iOszTg1kLx
Name Fructose 5TFA
Classification Sugar
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Exact Mass 659.974883479 u
Formula C16H7F15O11
InChI InChI=1S/C16H7F15O11/c17-12(18,19)6(32)37-2-11(42-10(36)16(29,30)31)5(41-9(35)15(26,27)28)4(40-8(34)14(23,24)25)3(1-38-11)39-7(33)13(20,21)22/h3-5H,1-2H2
InChIKey TVXVQZUZYLRUBY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 660.197 g/mol
SMILES C1(OCC(OC(C(F)(F)F)=O)C(OC(C(F)(F)F)=O)C1OC(C(F)(F)F)=O)(COC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-0aor-9550000000-50f71139c9eb28aa9fd0
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_5791