| SpectraBase Compound ID | CTALLxe0svy |
|---|---|
| InChI | InChI=1S/4C17H23N3O2/c1-4-5-6-10-20-16-13(8-7-9-14(16)21)15(19-20)17(22)18-11-12(2)3;1-4-5-6-10-20-13-8-7-9-14(21)15(13)16(19-20)17(22)18-11-12(2)3;1-4-5-6-9-20-15-8-7-13(21)10-14(15)16(19-20)17(22)18-11-12(2)3;1-4-5-6-9-20-15-10-13(21)7-8-14(15)16(19-20)17(22)18-11-12(2)3/h7-9,11-12H,4-6,10H2,1-3H3,(H-,18,21,22);7-9,11-12H,4-6,10H2,1-3H3,(H-,18,19,21,22);7-8,10-12H,4-6,9H2,1-3H3,(H-,18,21,22);7-8,10-12H,4-6,9H2,1-3H3,(H-,18,19,21,22)/p+4 |
| InChIKey | ZIXSZKKLIAJZEQ-UHFFFAOYSA-R |
| Mol Weight | 302.4 g/mol |
| Molecular Formula | C17H24N3O2 |
| Exact Mass | 302.186852 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Kz5feyQbe9i |
|---|---|
| Name | AB-PINACA-M (HOOC-HO-) isomer 2 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-315.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H24N3O2 |
| 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 |