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Amiodarone artifact PFP
SpectraBase Compound ID Yanj9vPsg0
InChI InChI=1S/C22H15F5I2O4/c1-2-3-7-16-17(12-6-4-5-8-15(12)32-16)18(30)11-9-13(28)19(14(29)10-11)33-20(31)21(23,24)22(25,26)27/h4-6,8-10H,2-3,7H2,1H3
InChIKey RUFBCOHJYACGEN-UHFFFAOYSA-N
Mol Weight 692.16 g/mol
Molecular Formula C22H15F5I2O4
Exact Mass 691.89799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3h1b9nfAhwA
Name Amiodarone artifact PFP
Classification Antiarrhythmic
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Exact Mass 691.897989774 u
Formula C22H15I2O4F5
InChI InChI=1S/C22H15F5I2O4/c1-2-3-7-16-17(12-6-4-5-8-15(12)32-16)18(30)11-9-13(28)19(14(29)10-11)33-20(31)21(23,24)22(25,26)27/h4-6,8-10H,2-3,7H2,1H3
InChIKey RUFBCOHJYACGEN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 692.159 g/mol
Related CAS Registry Number(s) 1951-25-3
SMILES c1cc2oc(c(c2cc1)C(=O)c1cc(c(c(c1)I)OC(C(F)(F)C(F)(F)F)=O)I)CCCC
SPLASH splash10-014i-1390000000-1834287a0f6303c01407
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
Synonyms Amiodarone-M (N-deethyl-) artifact PFP
Technique GC/MS
Wiley ID MMPW6e_7590