| SpectraBase Spectrum ID |
C2TIFUTwYNI |
| Name |
Labetalol-M (375) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C10H10N2O3/c1-12-5-9(14)6-2-3-8(13)7(4-6)10(11)15/h1-4,9,14H,5H2,(H2-,11,13,15)/p+1 |
| InChIKey |
IVTXXHDPLHQYEC-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC(=CC1C(N)=O)C(C[N+]#C)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 |
