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2C-B-Fly-NB2EtO5Cl MS3_2
SpectraBase Compound ID RuybBaHru5
InChI InChI=1S/C14H17O3/c1-6-7-16-14-9(2)8-13(17-12(5)15)10(3)11(14)4/h6-8H,1H2,2-5H3/q+1
InChIKey ZMLLYUBOBMFCAC-UHFFFAOYSA-N
Mol Weight 233.29 g/mol
Molecular Formula C14H17O3
Exact Mass 233.117769 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2wp4lb9fIkZ
Name Metipranolol MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C14H17O3/c1-6-7-16-14-9(2)8-13(17-12(5)15)10(3)11(14)4/h6-8H,1H2,2-5H3/q+1
InChIKey ZMLLYUBOBMFCAC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(=C)[CH+]OC=1C(=CC(=C(C1C)C)OC(=O)C)C
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