| SpectraBase Compound ID | E6wm2hI2dW1 |
|---|---|
| InChI | InChI=1S/4C13H16FN3O2/c14-7-2-1-3-8-17-12-9(5-4-6-10(12)18)11(16-17)13(15)19;14-7-2-1-3-8-17-9-5-4-6-10(18)11(9)12(16-17)13(15)19;14-6-2-1-3-7-17-11-5-4-9(18)8-10(11)12(16-17)13(15)19;14-6-2-1-3-7-17-11-8-9(18)4-5-10(11)12(16-17)13(15)19/h2*4-6,18H,1-3,7-8H2,(H2,15,19);2*4-5,8,18H,1-3,6-7H2,(H2,15,19)/p+4 |
| InChIKey | LVVWAWNQPFCTTA-UHFFFAOYSA-R |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C13H17FN3O2 |
| Exact Mass | 266.13048 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 9Jf9h8gCcC |
|---|---|
| Name | 5-F-Cumyl-PINACA-M (HO-) isomer 1 MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H17FN3O2 |
| 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 |