| SpectraBase Spectrum ID |
5KC4ApmdwxR |
| Name |
Tetrahydrocannabinol-M (nor-delta-9-HOOC-)-D3 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 348.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H25D3O4 |
| InChI |
InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/i1D3 |
| InChIKey |
YOVRGSHRZRJTLZ-FIBGUPNXSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=2C3C=C(C(=O)O)CCC3C(OC2C=C(C1)CCCCC([2H])([2H])[2H])(C)C |
| 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 |
