| SpectraBase Compound ID | B6Vd8AvXFbJ |
|---|---|
| InChI | InChI=1S/5C16H19NO5/c1-17-10-4-7-12(17)14(15(19)20)13(8-10)22-16(21)9-2-5-11(18)6-3-9;2*1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9;2*1-17-9-6-7-11(17)14(15(19)20)13(8-9)22-16(21)10-4-2-3-5-12(10)18/h2-3,5-6,10,12-14,18H,4,7-8H2,1H3,(H,19,20);2*2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20);2*2-5,9,11,13-14,18H,6-8H2,1H3,(H,19,20)/t3*10-,12+,13?,14?;2*9-,11+,13?,14?/m11111/s1 |
| InChIKey | NMTXPRBKDNAFHO-FGTULUFTSA-N |
| Mol Weight | 305.33 g/mol |
| Molecular Formula | C16H19NO5 |
| Exact Mass | 305.126323 g/mol |
Mass Spectrum (LC)
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E3mQ6oux81U |
|---|---|
| Name | Cocaine-M (benzoylecgonine-HO-ring) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 306.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C16H19NO5 |
| 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 |