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Phencyclidine-M (COOH-4-HO-ring) MS2
SpectraBase Compound ID 2aWfZo8IEOz
InChI InChI=1S/C17H25NO3/c19-15-9-11-17(12-10-15,14-6-2-1-3-7-14)18-13-5-4-8-16(20)21/h1-3,6-7,15,18-19H,4-5,8-13H2,(H,20,21)
InChIKey VCOGRKITRVJRPS-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 1CjjGmbJ2w7
Name Phencyclidine-M (COOH-4-HO-ring) MS2
Comments F: ITMS + c ESI d w Full ms2 292.10
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Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c19-15-9-11-17(12-10-15,14-6-2-1-3-7-14)18-13-5-4-8-16(20)21/h1-3,6-7,15,18-19H,4-5,8-13H2,(H,20,21)
InChIKey VCOGRKITRVJRPS-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CCCCC(=O)O)C1(CCC(CC1)O)C1=CC=CC=C1
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