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3-O-Methyl-dopamine PFP
SpectraBase Compound ID L7fBSxJsw1z
InChI InChI=1S/C12H12F5NO3/c1-21-9-6-7(2-3-8(9)19)4-5-18-10(20)11(13,14)12(15,16)17/h2-3,6,19H,4-5H2,1H3,(H,18,20)
InChIKey ILXVOBORMXKATN-UHFFFAOYSA-N
Mol Weight 313.22 g/mol
Molecular Formula C12H12F5NO3
Exact Mass 313.073734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECzeUTWqWim
Name 3-O-Methyl-dopamine PFP
Classification Biomolecule
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Exact Mass 313.073734062 u
Formula C12H12NO3F5
InChI InChI=1S/C12H12F5NO3/c1-21-9-6-7(2-3-8(9)19)4-5-18-10(20)11(13,14)12(15,16)17/h2-3,6,19H,4-5H2,1H3,(H,18,20)
InChIKey ILXVOBORMXKATN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 313.224 g/mol
SMILES c1(cc(OC)c(O)cc1)CCNC(C(F)(F)C(F)(F)F)=O
SPLASH splash10-0f79-2901000000-19e97d92b42405eaae59
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_10543