| SpectraBase Compound ID | 4OBOJPwzYrB |
|---|---|
| InChI | InChI=1S/C17H22ClN3O.CH4O/c1-13(2)12-19-17(22)16-14-8-4-5-9-15(14)21(20-16)11-7-3-6-10-18;1-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3;2H,1H3/p+1 |
| InChIKey | UNGSXGAUYPIXRT-UHFFFAOYSA-O |
| Mol Weight | 352.89 g/mol |
| Molecular Formula | C18H27ClN3O2 |
| Exact Mass | 352.17918 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 1bTJofVCExj |
|---|---|
| Name | 5-Cl-AB-PINACA-M (HO-) isomer 1 MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-350.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H23ClN3O2 |
| 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 |