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Noradrenaline-A (-H2O) 3PFP
SpectraBase Compound ID iolOoPG5dA
InChI InChI=1S/C17H6F15NO5/c18-12(19,15(24,25)26)9(34)33-4-3-6-1-2-7(37-10(35)13(20,21)16(27,28)29)8(5-6)38-11(36)14(22,23)17(30,31)32/h1-5H,(H,33,34)/b4-3+
InChIKey ZHDHOWNTVDNWHU-ONEGZZNKSA-N
Mol Weight 589.21 g/mol
Molecular Formula C17H6F15NO5
Exact Mass 589.000645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ky9395tSi8P
Name Noradrenaline -H2O 3PFP @
Classification Transmitter Bronchodilator
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Exact Mass 589.000644737 u
Formula C17H6NO5F15
InChI InChI=1S/C17H6F15NO5/c18-12(19,15(24,25)26)9(34)33-4-3-6-1-2-7(37-10(35)13(20,21)16(27,28)29)8(5-6)38-11(36)14(22,23)17(30,31)32/h1-5H,(H,33,34)/b4-3+
InChIKey ZHDHOWNTVDNWHU-ONEGZZNKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 589.213 g/mol
SMILES c1cc(cc(c1OC(C(F)(F)C(F)(F)F)=O)OC(=O)C(F)(F)C(F)(F)F)\C=C\NC(C(F)(F)C(F)(F)F)=O
SPLASH splash10-014i-5920110000-9e54b8dded6bc53f5ce0
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 Norepinephrine -H2O 3PFP Terbutaline-M/artifact (N-dealkyl-) 3PFP
Technique GC/MS
Wiley ID MMPW6e_8363