| SpectraBase Spectrum ID |
7cGlnfELegR |
| Name |
Tolvaptan MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-265.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H13NO2/c1-11-5-3-4-6-15(11)16(19)17-14-8-7-13(10-18)12(2)9-14/h3-9H,1-2H3/p+1 |
| InChIKey |
ZAQIIQFTUNVRKY-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1=CC=C([C+]=O)C(=C1)C)C(C1=C(C=CC=C1)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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
