| SpectraBase Spectrum ID |
6GNPuF6ITc3 |
| Name |
Cocaine-M (benzoylecgonine) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 290.00 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13?,14?/m1/s1 |
| InChIKey |
GVGYEFKIHJTNQZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1C(C[C@@]2(N([C@]1(CC2)[H])C)[H])OC(C=1C=CC=CC1)=O)=O |
| 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 |
