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Aceprometazine MS3_1
SpectraBase Compound ID AJA3F4UVt47
InChI InChI=1S/C17H16NOS/c1-3-10-18-14-6-4-5-7-16(14)20-17-9-8-13(12(2)19)11-15(17)18/h3-9,11H,10H2,1-2H3/q+1
InChIKey NNXZCZLGXYONSA-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C17H16NOS
Exact Mass 282.09526 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5yjt0EloT9g
Name Aceprometazine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-295.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C17H16NOS/c1-3-10-18-14-6-4-5-7-16(14)20-17-9-8-13(12(2)19)11-15(17)18/h3-9,11H,10H2,1-2H3/q+1
InChIKey NNXZCZLGXYONSA-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+](CN1C2=CC=CC=C2SC2=C1C=C(C(C)=O)C=C2)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