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Xylose 4TFA
SpectraBase Compound ID 6uWbK1kRbsH
InChI InChI=1S/C13H6F12O9/c14-10(15,16)6(26)31-2-1-30-5(34-9(29)13(23,24)25)4(33-8(28)12(20,21)22)3(2)32-7(27)11(17,18)19/h2-5H,1H2
InChIKey ZHQMHGFJNVQNHH-UHFFFAOYSA-N
Mol Weight 534.16 g/mol
Molecular Formula C13H6F12O9
Exact Mass 533.98202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQywuNuRT7s
Name Xylose 4TFA
Classification Sugar
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Exact Mass 533.982019720 u
Formula C13H6F12O9
InChI InChI=1S/C13H6F12O9/c14-10(15,16)6(26)31-2-1-30-5(34-9(29)13(23,24)25)4(33-8(28)12(20,21)22)3(2)32-7(27)11(17,18)19/h2-5H,1H2
InChIKey ZHQMHGFJNVQNHH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 534.163 g/mol
SMILES C1(OC(C(F)(F)F)=O)C(C(OC(C(F)(F)F)=O)C(OC1)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
SPLASH splash10-014i-9610000000-013f1b756701a6b44444
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_5809