| SpectraBase Spectrum ID |
ERTRSeF5yAP |
| Name |
Agomelatine-M (HO-) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-215.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H12O2/c1-3-9-5-4-6-11-12(9)7-10(15-2)8-13(11)14/h4-8H,1,3H2,2H3/p+1 |
| InChIKey |
LVCZBUPHVMRMCA-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C2=C(C(C[CH2+])=CC=C2)C=C(C1)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 |
ms3 |
| Technique |
ITMS |
