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Butalamine MS3_2
SpectraBase Compound ID 6oJg3uSTG9c
InChI InChI=1S/C10H10N3O/c1-2-11-10-12-9(13-14-10)8-6-4-3-5-7-8/h3-7H,1-2H2,(H,11,12,13)/q+1
InChIKey JZLXOXODSAHQSW-UHFFFAOYSA-N
Mol Weight 188.21 g/mol
Molecular Formula C10H10N3O
Exact Mass 188.082387 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KitltvkjeAy
Name Butalamine-M (N-dealkyl-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-200.00]
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InChI InChI=1S/C10H10N3O/c1-2-11-10-12-9(13-14-10)8-6-4-3-5-7-8/h3-7H,1-2H2,(H,11,12,13)/q+1
InChIKey JZLXOXODSAHQSW-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C[CH2+])C=1ON=C(N1)C=1C=CC=CC1
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS