| SpectraBase Spectrum ID |
1xrS3Uk3tQp |
| Name |
Dronabinol-M (nor-delta-9-HOOC-glucuronide) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-340.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C21H26O3/c1-4-5-6-7-15-8-10-18(20(22)12-15)19-13-16(21(23)24)9-11-17(19)14(2)3/h8,12-13,17,19H,2,4-7,9,11H2,1,3H3,(H-,22,23,24)/p+1 |
| InChIKey |
TZDZAAHMZLSJTE-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C=1CCC(C(C=2C(=CC(=C[C+]2)CCCCC)O)C1)C(=C)C)=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 |
ms3 |
| Technique |
ITMS |
