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Piperacilline-M (dealkyl-) MS3_1
SpectraBase Compound ID AdIx8bJ9zqv
InChI InChI=1S/C13H11N3O4/c17-8-10(9-4-2-1-3-5-9)15-13(20)16-7-6-14-11(18)12(16)19/h1-5,10H,6-7H2,(H-,14,15,18,20)/p+1
InChIKey MXTAYXIPASMMCD-UHFFFAOYSA-O
Mol Weight 274.26 g/mol
Molecular Formula C13H12N3O4
Exact Mass 274.082781 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BfuEliIfPSD
Name Piperacilline-M (dealkyl-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-285.00]
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InChI InChI=1S/C13H11N3O4/c17-8-10(9-4-2-1-3-5-9)15-13(20)16-7-6-14-11(18)12(16)19/h1-5,10H,6-7H2,(H-,14,15,18,20)/p+1
InChIKey MXTAYXIPASMMCD-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N(C(C1=CC=CC=C1)[C+]=O)C(N1CCNC(C1=O)=O)=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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS