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1-Methyl-1,2,5,6-tetrahydronicotinic acid
SpectraBase Compound ID 1VhGa0WuMu9
InChI InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKey DNJFTXKSFAMXQF-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C7H11NO2
Exact Mass 141.078979 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6wEpaf4a0qa
Name Arecaidine
CAS Registry Number 499-04-7
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-165.00]
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Formula C7H11NO2
InChI InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKey DNJFTXKSFAMXQF-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(C=1CN(CCC1)C)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD