| SpectraBase Compound ID | G9V0YWEgx0k |
|---|---|
| InChI | InChI=1S/4C18H25ClN4O3.4CH4O/c1-11(2)15(17(20)25)21-18(26)16-14-12(7-6-8-13(14)24)23(22-16)10-5-3-4-9-19;1-11(2)14(17(20)25)21-18(26)15-12-7-6-8-13(24)16(12)23(22-15)10-5-3-4-9-19;1-11(2)15(17(20)25)21-18(26)16-13-10-12(24)6-7-14(13)23(22-16)9-5-3-4-8-19;1-11(2)15(17(20)25)21-18(26)16-13-7-6-12(24)10-14(13)23(22-16)9-5-3-4-8-19;4*1-2/h6-8,11,15,24H,3-5,9-10H2,1-2H3,(H2,20,25)(H,21,26);6-8,11,14,24H,3-5,9-10H2,1-2H3,(H2,20,25)(H,21,26);2*6-7,10-11,15,24H,3-5,8-9H2,1-2H3,(H2,20,25)(H,21,26);4*2H,1H3 |
| InChIKey | YDLSGYXXKMZDFQ-UHFFFAOYSA-N |
| Mol Weight | 412.92 g/mol |
| Molecular Formula | C19H29ClN4O4 |
| Exact Mass | 412.187733 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KRVYsYbSs2S |
|---|---|
| Name | 5-Cl-AB-PINACA-M (di-HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 397.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H25ClN4O4 |
| 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 |