For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Chlorprothixene-M (HO-) isomer 2 MS2
SpectraBase Compound ID AbsAT8mcQWn
InChI InChI=1S/C18H18ClNOS/c1-20(2)18(21)10-8-13-14-5-3-4-6-16(14)22-17-9-7-12(19)11-15(13)17/h3-9,11,18,21H,10H2,1-2H3/b13-8+
InChIKey OPKJXLXPUFKZES-MDWZMJQESA-N
Mol Weight 331.86 g/mol
Molecular Formula C18H18ClNOS
Exact Mass 331.079763 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1IPbkBJ53Wt
Name Chlorprothixene-M (HO-glucuronide) isomer 2 MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-270.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C18H18ClNOS
InChI InChI=1S/C18H18ClNOS/c1-20(2)18(21)10-8-13-14-5-3-4-6-16(14)22-17-9-7-12(19)11-15(13)17/h3-9,11,18,21H,10H2,1-2H3/b13-8+
InChIKey OPKJXLXPUFKZES-MDWZMJQESA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C\C=C\1C2=C(C=CC(=C2)Cl)SC2=C1C=CC=C2)N(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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS