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Clopenthixol-M/artifact (HO- +ME) MS2
SpectraBase Compound ID 8ly0fNn5JYv
InChI InChI=1S/C23H27ClN2O2S/c1-28-15-14-25-10-12-26(13-11-25)23(27)9-7-18-19-4-2-3-5-21(19)29-22-8-6-17(24)16-20(18)22/h2-8,16,23,27H,9-15H2,1H3/b18-7+
InChIKey XBZZQTMWILUKDG-CNHKJKLMSA-N
Mol Weight 430.99 g/mol
Molecular Formula C23H27ClN2O2S
Exact Mass 430.148177 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7ua5Z3LDs51
Name Clopenthixol-M/artifact (HO- +ME) MS2
Comments F: ITMS + c ESI d w Full ms2 431.10
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Formula C23H27ClN2O2S
InChI InChI=1S/C23H27ClN2O2S/c1-28-15-14-25-10-12-26(13-11-25)23(27)9-7-18-19-4-2-3-5-21(19)29-22-8-6-17(24)16-20(18)22/h2-8,16,23,27H,9-15H2,1H3/b18-7+
InChIKey XBZZQTMWILUKDG-CNHKJKLMSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C\C=C\1C=2C(=CC=C(C2)Cl)SC2=C1C=CC=C2)N1CCN(CC1)CCOC
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS