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Buspirone MS3_2
SpectraBase Compound ID BnariL4VoQi
InChI InChI=1S/C13H20NO2/c1-2-3-8-14-11(15)9-13(10-12(14)16)6-4-5-7-13/h1-10H2/q+1
InChIKey IKAMCFYDWPDOEK-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C13H20NO2
Exact Mass 222.149404 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HgbGXtqE4z1
Name Buspirone-M (N-oxide) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-235.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C13H20NO2/c1-2-3-8-14-11(15)9-13(10-12(14)16)6-4-5-7-13/h1-10H2/q+1
InChIKey IKAMCFYDWPDOEK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]CCCN1C(=O)CC2(CC1=O)CCCC2
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