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Dosulepin MS3_1
SpectraBase Compound ID AaZSDBtikHB
InChI InChI=1S/C17H15S/c1-2-7-15-14-9-4-3-8-13(14)12-18-17-11-6-5-10-16(15)17/h3-11H,1-2,12H2/q+1/b15-7-
InChIKey NYHNTPKNIWJYBT-CHHVJCJISA-N
Mol Weight 251.37 g/mol
Molecular Formula C17H15S
Exact Mass 251.089447 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3oIxKddIeAq
Name Dosulepin 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/C17H15S/c1-2-7-15-14-9-4-3-8-13(14)12-18-17-11-6-5-10-16(15)17/h3-11H,1-2,12H2/q+1/b15-7-
InChIKey NYHNTPKNIWJYBT-CHHVJCJISA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]C\C=C/1C2=C(C=CC=C2)SCC=2C1=CC=CC2
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