| SpectraBase Spectrum ID |
7owRIw04qu |
| Name |
JWH-210-M (pentanoic acid-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-255.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H14NO3 |
| InChI |
InChI=1S/C14H13NO3/c16-10-11-9-15(8-4-3-7-14(17)18)13-6-2-1-5-12(11)13/h1-2,5-6,9H,3-4,7-8H2/p+1 |
| InChIKey |
RQIYYCBGXDYQGY-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CCCCN1C2=CC=CC=C2C(=C1)[C+]=O)=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 |
