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Noradrenaline-A (-H2O) 3TFA
SpectraBase Compound ID J0aqCXYJfVR
InChI InChI=1S/C14H6F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-5H,(H,24,25)/b4-3+
InChIKey PKUASUKEPJTLLY-ONEGZZNKSA-N
Mol Weight 439.19 g/mol
Molecular Formula C14H6F9NO5
Exact Mass 439.010226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITpzvXgsJ5m
Name Noradrenaline -H2O 3TFA @
Classification Transmitter Bronchodilator
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Exact Mass 439.010225759 u
Formula C14H6NO5F9
InChI InChI=1S/C14H6F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-5H,(H,24,25)/b4-3+
InChIKey PKUASUKEPJTLLY-ONEGZZNKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 439.190 g/mol
SMILES c1cc(\C=C\NC(C(F)(F)F)=O)cc(OC(=O)C(F)(F)F)c1OC(C(F)(F)F)=O
SPLASH splash10-014i-9211000000-131cc3ee5b011280684c
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 3TFA Terbutaline-M/artifact (N-dealkyl-) 3TFA
Technique GC/MS
Wiley ID MMPW6e_8361