| SpectraBase Spectrum ID |
4XmzEdgGGRd |
| Name |
JWH-398-M (HO-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-200.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H6ClO |
| InChI |
InChI=1S/C11H6ClO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H/q+1 |
| InChIKey |
CJAICMKKJGHUSZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+](C1=C2C(=C(C=C1)Cl)C=CC=C2)=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 |
