| SpectraBase Compound ID | 2etowq2nZL3 |
|---|---|
| InChI | InChI=1S/4C18H25N3O4/c1-4-5-6-10-21-12-8-7-9-13(22)14(12)16(20-21)17(23)19-15(11(2)3)18(24)25;1-4-5-6-10-21-16-12(8-7-9-13(16)22)15(20-21)17(23)19-14(11(2)3)18(24)25;1-4-5-6-9-21-14-8-7-12(22)10-13(14)16(20-21)17(23)19-15(11(2)3)18(24)25;1-4-5-6-9-21-14-10-12(22)7-8-13(14)16(20-21)17(23)19-15(11(2)3)18(24)25/h7-9,11,15,22H,4-6,10H2,1-3H3,(H,19,23)(H,24,25);7-9,11,14,22H,4-6,10H2,1-3H3,(H,19,23)(H,24,25);2*7-8,10-11,15,22H,4-6,9H2,1-3H3,(H,19,23)(H,24,25) |
| InChIKey | QGKPXQRODSFILI-UHFFFAOYSA-N |
| Mol Weight | 347.42 g/mol |
| Molecular Formula | C18H25N3O4 |
| Exact Mass | 347.184506 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | LAY88QPZmxf |
|---|---|
| Name | AB-PINACA-M (HOOC-HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 348.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H25N3O4 |
| 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 |