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Articaine-M (O-demethyl-) MS2
SpectraBase Compound ID JGyCVb2Z6w4
InChI InChI=1S/C12H18N2O3S/c1-4-5-13-8(3)11(15)14-9-7(2)6-18-10(9)12(16)17/h6,8,13H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKey LUPKINKNYDFRIB-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C12H18N2O3S
Exact Mass 270.103814 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FzR6G8ncP81
Name Articaine-M (O-demethyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-295.00]
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Formula C12H18N2O3S
InChI InChI=1S/C12H18N2O3S/c1-4-5-13-8(3)11(15)14-9-7(2)6-18-10(9)12(16)17/h6,8,13H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKey LUPKINKNYDFRIB-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(CCC)C(C(NC1=C(C(O)=O)SC=C1C)=O)C
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