| SpectraBase Compound ID | 2f38vA3HfG0 |
|---|---|
| InChI | InChI=1S/4C17H22FN3O2/c1-12(2)11-19-17(23)15-13-7-6-8-14(22)16(13)21(20-15)10-5-3-4-9-18;1-12(2)11-19-17(23)16-15-13(7-6-8-14(15)22)21(20-16)10-5-3-4-9-18;1-12(2)11-19-17(23)16-14-10-13(22)6-7-15(14)21(20-16)9-5-3-4-8-18;1-12(2)11-19-17(23)16-14-7-6-13(22)10-15(14)21(20-16)9-5-3-4-8-18/h6-8,11-12H,3-5,9-10H2,1-2H3,(H-,19,22,23);6-8,11-12H,3-5,9-10H2,1-2H3,(H-,19,20,22,23);6-7,10-12H,3-5,8-9H2,1-2H3,(H-,19,22,23);6-7,10-12H,3-5,8-9H2,1-2H3,(H-,19,20,22,23)/p+4 |
| InChIKey | LSCVRTQTUJKRRP-UHFFFAOYSA-R |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C17H23FN3O2 |
| Exact Mass | 320.17743 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 6Ko3ZUlGxrC |
|---|---|
| Name | 5-F-AB-PINACA-M (HOOC-HO-) MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-335.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C17H23FN3O2 |
| 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 |