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Thioridazine MS3_1
SpectraBase Compound ID 5DRS55jaF2v
InChI InChI=1S/C14H12NS2/c1-15-11-5-3-4-6-13(11)17-14-8-7-10(16-2)9-12(14)15/h3-9H,1H2,2H3/q+1
InChIKey QGIDWCXPCIQLCS-UHFFFAOYSA-N
Mol Weight 258.38 g/mol
Molecular Formula C14H12NS2
Exact Mass 258.041117 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID F1yIIUGVv9f
Name Thioridazine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C14H12NS2/c1-15-11-5-3-4-6-13(11)17-14-8-7-10(16-2)9-12(14)15/h3-9H,1H2,2H3/q+1
InChIKey QGIDWCXPCIQLCS-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=[N+]1C2=CC(=CC=C2SC2=C1C=CC=C2)SC
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