| SpectraBase Compound ID | 42WsFZ1aLQ1 |
|---|---|
| InChI | InChI=1S/4C18H18ClNOS/c1-20(2)10-4-5-13-14-11-12(19)8-9-16(14)22-17-7-3-6-15(21)18(13)17;1-20(2)10-4-6-13-14-5-3-7-16(21)18(14)22-17-9-8-12(19)11-15(13)17;1-20(2)9-3-4-14-15-7-6-13(21)11-18(15)22-17-8-5-12(19)10-16(14)17;1-20(2)9-3-4-14-15-10-12(19)5-7-17(15)22-18-8-6-13(21)11-16(14)18/h2*3,5-9,11,21H,4,10H2,1-2H3;2*4-8,10-11,21H,3,9H2,1-2H3/b13-5-;13-6+;14-4+;14-4- |
| InChIKey | VPWMCQIYHZCZED-LHDHCZJASA-N |
| Mol Weight | 331.86 g/mol |
| Molecular Formula | C18H18ClNOS |
| Exact Mass | 331.079763 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | GdaKAyw3Viw |
|---|---|
| Name | Chlorprothixene-M (HO-sulfate) isomer 1 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 |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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 |