| SpectraBase Compound ID | 6WlzV5rpz0l |
|---|---|
| InChI | InChI=1S/4C17H16ClNOS/c1-19-9-3-4-12-13-10-11(18)7-8-15(13)21-16-6-2-5-14(20)17(12)16;1-19-9-3-5-12-13-4-2-6-15(20)17(13)21-16-8-7-11(18)10-14(12)16;1-19-8-2-3-13-14-6-5-12(20)10-17(14)21-16-7-4-11(18)9-15(13)16;1-19-8-2-3-13-14-9-11(18)4-6-16(14)21-17-7-5-12(20)10-15(13)17/h2*2,4-8,10,19-20H,3,9H2,1H3;2*3-7,9-10,19-20H,2,8H2,1H3/b12-4-;12-5+;13-3+;13-3- |
| InChIKey | PWWIZIBTERUTRZ-DQVYEOSESA-N |
| Mol Weight | 317.83 g/mol |
| Molecular Formula | C17H16ClNOS |
| Exact Mass | 317.064113 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3t3289UHcIu |
|---|---|
| Name | Chlorprothixene-M (nor-HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 318.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H16ClNOS |
| 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 | ms2 |
| Technique | ITMS |