| SpectraBase Compound ID | 5v3eYIDCToi |
|---|---|
| InChI | InChI=1S/3C20H28N4O3/c1-12(2)17(19(21)26)22-20(27)18-14-8-4-5-9-15(14)24(23-18)11-13-7-3-6-10-16(13)25;1-12(2)17(19(21)26)22-20(27)18-15-8-3-4-9-16(15)24(23-18)11-13-6-5-7-14(25)10-13;1-12(2)17(19(21)26)22-20(27)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(25)10-8-13/h4-5,8-9,12-13,16-17,25H,3,6-7,10-11H2,1-2H3,(H2,21,26)(H,22,27);3-4,8-9,12-14,17,25H,5-7,10-11H2,1-2H3,(H2,21,26)(H,22,27);3-6,12-14,17,25H,7-11H2,1-2H3,(H2,21,26)(H,22,27) |
| InChIKey | IZIWHPNTGIKULP-UHFFFAOYSA-N |
| Mol Weight | 372.47 g/mol |
| Molecular Formula | C20H28N4O3 |
| Exact Mass | 372.216141 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | J6rKlGGD94k |
|---|---|
| Name | AB-CHMINACA-M (HO-glucuronide) MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |