| SpectraBase Spectrum ID |
AH5FQPfMIWw |
| Name |
Cocaine-M (benzoylecgonine-HO-ring) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 306.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H19NO5 |
| InChI |
InChI=1S/C16H19NO5/c1-17-9-6-7-11(17)14(15(19)20)13(8-9)22-16(21)10-4-2-3-5-12(10)18/h2-5,9,11,13-14,18H,6-8H2,1H3,(H,19,20)/t9-,11+,13?,14?/m1/s1 |
| InChIKey |
MYESYNBHXJIBCP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1C(OC(C2=C(C=CC=C2)O)=O)C[C@@]2(N([C@]1(CC2)[H])C)[H])=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 |
