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Pipazetate-M (N-oxide) MS2
SpectraBase Compound ID BoDwYMieB5k
InChI InChI=1S/C21H26N3O4S/c25-21(28-16-15-27-14-13-24(26)11-4-1-5-12-24)23-17-7-2-3-8-18(17)29-19-9-6-10-22-20(19)23/h2-3,6-10,26H,1,4-5,11-16H2/q+1
InChIKey FDBSAHISPJZTFN-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C21H26N3O4S
Exact Mass 416.164402 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Dlzu7HVMwW9
Name Pipazetate-M (N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 416.10
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Formula C21H26N3O4S
InChI InChI=1S/C21H26N3O4S/c25-21(28-16-15-27-14-13-24(26)11-4-1-5-12-24)23-17-7-2-3-8-18(17)29-19-9-6-10-22-20(19)23/h2-3,6-10,26H,1,4-5,11-16H2/q+1
InChIKey FDBSAHISPJZTFN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES O[N+]1(CCOCCOC(N2C=3N=CC=CC3SC=3C2=CC=CC3)=O)CCCCC1
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 ms2
Technique ITMS