| SpectraBase Compound ID | bDbxEtQ3dO |
|---|---|
| InChI | InChI=1S/5C17H21NO5/c1-18-11-5-8-13(18)15(16(19)20)14(9-11)23-17(21)10-3-6-12(22-2)7-4-10;2*1-18-11-6-7-13(18)15(16(19)20)14(9-11)23-17(21)10-4-3-5-12(8-10)22-2;2*1-18-10-7-8-12(18)15(16(19)20)14(9-10)23-17(21)11-5-3-4-6-13(11)22-2/h3-4,6-7,11,13-15H,5,8-9H2,1-2H3,(H,19,20);2*3-5,8,11,13-15H,6-7,9H2,1-2H3,(H,19,20);2*3-6,10,12,14-15H,7-9H2,1-2H3,(H,19,20)/t3*11-,13+,14?,15?;2*10-,12+,14?,15?/m11111/s1 |
| InChIKey | XPBNVEFJBTURDH-LPECMTJOSA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C17H21NO5 |
| Exact Mass | 319.141973 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | L9eNmwlLhcD |
|---|---|
| Name | Cocaine-M/artifact (benzoylecgonine-HO-ring) isomer 2 ME MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 316.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |