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Mannose 5TFA
SpectraBase Compound ID KcngETrHcYH
InChI InChI=1S/C16H7F15O11/c17-12(18,19)7(32)37-1-2-3(39-8(33)13(20,21)22)4(40-9(34)14(23,24)25)5(41-10(35)15(26,27)28)6(38-2)42-11(36)16(29,30)31/h2-6H,1H2
InChIKey FMTKBUZWITYHQE-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 9TazOd2drf1
Name Glucose 5TFA
Classification Sugar
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Exact Mass 659.974883479 u
Formula C16H7F15O11
InChI InChI=1S/C16H7F15O11/c17-12(18,19)7(32)37-1-2-3(39-8(33)13(20,21)22)4(40-9(34)14(23,24)25)5(41-10(35)15(26,27)28)6(38-2)42-11(36)16(29,30)31/h2-6H,1H2
InChIKey FMTKBUZWITYHQE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 660.197 g/mol
SMILES C1(C(C(OC(C(F)(F)F)=O)C(OC1OC(C(F)(F)F)=O)COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-014i-9632000000-531ad057337928946011
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_5782