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AM-2201 benzimidazole analog MS3_1
SpectraBase Compound ID AKQfTMYPAYR
InChI InChI=1S/C13H14FN2O/c14-8-4-1-5-9-16-12-7-3-2-6-11(12)15-13(16)10-17/h2-3,6-7H,1,4-5,8-9H2/q+1
InChIKey LWSIFOUHCXUCPH-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H14FN2O
Exact Mass 233.109016 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID UEZkhE6ufG
Name FUBIMINA MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00]
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Formula C13H14FN2O
InChI InChI=1S/C13H14FN2O/c14-8-4-1-5-9-16-12-7-3-2-6-11(12)15-13(16)10-17/h2-3,6-7H,1,4-5,8-9H2/q+1
InChIKey LWSIFOUHCXUCPH-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](C1=NC2=C(N1CCCCCF)C=CC=C2)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS