| SpectraBase Spectrum ID |
25Zv8Vo3Ubo |
| Name |
Labetalol-M (HO-methoxy-) isomer 2 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-250.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C11H12N2O4/c1-13-5-8(14)6-3-7(11(12)16)10(15)9(4-6)17-2/h1,3-4,8,14H,5H2,2H3,(H2-,12,15,16)/p+1 |
| InChIKey |
VROWKBWABQTZKC-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC(C=1C=C(C=C(C1O)OC)C(C[N+]#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 |
