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2C-I-Fly MS2
SpectraBase Compound ID 54G8Bpm7zMA
InChI InChI=1S/C12H19NO3/c1-9(2)13-7-10(14)8-16-12-6-4-3-5-11(12)15/h3-6,9-10,13-15H,7-8H2,1-2H3/q+1
InChIKey PNMXMIJVLMVICD-UHFFFAOYSA-N
Mol Weight 226.3 g/mol
Molecular Formula C12H20NO3
Exact Mass 226.144319 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6VMybzoTOS
Name Oxprenolol MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C12H19NO3/c1-9(2)13-7-10(14)8-16-12-6-4-3-5-11(12)15/h3-6,9-10,13-15H,7-8H2,1-2H3/q+1
InChIKey PNMXMIJVLMVICD-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [OH2+]C1=C(OCC(CNC(C)C)O)C=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS