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Mebendazole MS3_1
SpectraBase Compound ID E2cbUxNcGoc
InChI InChI=1S/C15H9N3O2/c19-9-16-15-17-12-7-6-11(8-13(12)18-15)14(20)10-4-2-1-3-5-10/h1-8H,(H-,16,17,18,19,20)/p+1
InChIKey HWMPUVLQUAZKGD-UHFFFAOYSA-O
Mol Weight 264.26 g/mol
Molecular Formula C15H10N3O2
Exact Mass 264.077302 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7USxdJ5VyK
Name Mebendazole MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-275.00]
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InChI InChI=1S/C15H9N3O2/c19-9-16-15-17-12-7-6-11(8-13(12)18-15)14(20)10-4-2-1-3-5-10/h1-8H,(H-,16,17,18,19,20)/p+1
InChIKey HWMPUVLQUAZKGD-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N([C+]=O)C1=NC2=C(N1)C=CC(=C2)C(C1=CC=CC=C1)=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