| SpectraBase Spectrum ID |
AMnwqfk1uJx |
| Name |
Cocaine-M (di-HO-methoxy-HO-ring) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 380.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H25NO7 |
| InChI |
InChI=1S/C19H25NO7/c1-20-11-5-6-12(20)16(19(23)26-4)13(9-11)27-18(22)10-7-14(24-2)17(21)15(8-10)25-3/h7-8,11-13,16,21H,5-6,9H2,1-4H3 |
| InChIKey |
UBXRZEXPLXSLTN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=C(C=C1OC)C(OC1CC2CCC(C1C(OC)=O)N2C)=O)OC |
| 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 |
