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Dosulepin MS3_2
SpectraBase Compound ID 2RUGApIrUSl
InChI InChI=1S/C15H13S/c1-2-13-8-6-7-9-14(13)12-16-15-10-4-3-5-11-15/h1,3-11,14H,12H2/q+1
InChIKey JDBRGGURYMVTBZ-UHFFFAOYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C15H13S
Exact Mass 225.073797 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 74LZ4OipvXC
Name Dosulepin MS3_2
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/C15H13S/c1-2-13-8-6-7-9-14(13)12-16-15-10-4-3-5-11-15/h1,3-11,14H,12H2/q+1
InChIKey JDBRGGURYMVTBZ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1=C(C([CH+]C=C1)CSC=1C=CC=CC1)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