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Noradrenaline -H2O 3HFB       @
SpectraBase Compound ID 7LlwctC2iG3
InChI InChI=1S/C20H6F21NO5/c21-12(22,15(27,28)18(33,34)35)9(43)42-4-3-6-1-2-7(46-10(44)13(23,24)16(29,30)19(36,37)38)8(5-6)47-11(45)14(25,26)17(31,32)20(39,40)41/h1-5H,(H,42,43)/b4-3+
InChIKey HQZFDVLIZSGJOF-ONEGZZNKSA-N
Mol Weight 739.24 g/mol
Molecular Formula C20H6F21NO5
Exact Mass 738.991064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9n3tUwz2MKS
Name Noradrenaline -H2O 3HFB @
Classification Transmitter Bronchodilator
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Exact Mass 738.991063715 u
Formula C20H6NO5F21
InChI InChI=1S/C20H6F21NO5/c21-12(22,15(27,28)18(33,34)35)9(43)42-4-3-6-1-2-7(46-10(44)13(23,24)16(29,30)19(36,37)38)8(5-6)47-11(45)14(25,26)17(31,32)20(39,40)41/h1-5H,(H,42,43)/b4-3+
InChIKey HQZFDVLIZSGJOF-ONEGZZNKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 739.236 g/mol
SMILES c1cc(\C=C\NC(C(F)(F)C(F)(F)C(F)(F)F)=O)cc(OC(=O)C(F)(C(F)(F)C(F)(F)F)F)c1OC(C(C(F)(F)C(F)(F)F)(F)F)=O
SPLASH splash10-014i-9711010000-a6a2853b42f3356d2f9a
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 3HFB Terbutaline-M/artifact (N-dealkyl-) 3HFB
Technique GC/MS
Wiley ID MMPW6e_8362