| SpectraBase Compound ID | FMTWa7CAHtV |
|---|---|
| InChI | InChI=1S/3C19H25N3O2/c1-13(2)11-20-19(24)18-15-8-4-5-9-16(15)22(21-18)12-14-7-3-6-10-17(14)23;1-13(2)11-20-19(24)18-16-8-3-4-9-17(16)22(21-18)12-14-6-5-7-15(23)10-14;1-13(2)11-20-19(24)18-16-5-3-4-6-17(16)22(21-18)12-14-7-9-15(23)10-8-14/h4-5,8-9,11,13-14,17,23H,3,6-7,10,12H2,1-2H3;3-4,8-9,11,13-15,23H,5-7,10,12H2,1-2H3;3-6,11,13-15,23H,7-10,12H2,1-2H3/p+3/b3*20-11+ |
| InChIKey | HREXSZCIGTURJT-CLAXIQJPSA-Q |
| Mol Weight | 328.44 g/mol |
| Molecular Formula | C19H26N3O2 |
| Exact Mass | 328.202502 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 8llZCj8EhVo |
|---|---|
| Name | AB-CHMINACA-M (HOOC-HO-) isomer 1 MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-340.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H26N3O2 |
| 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 |