SpectraBase Spectrum ID |
5UPmVzgGm0 |
Name |
Emedastine MS2 |
Comments |
F: ITMS + c ESI d w Full ms2 303.10 |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C17H26N4O |
InChI |
InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3 |
InChIKey |
KBUZBQVCBVDWKX-UHFFFAOYSA-N |
Ion Polarity |
P |
Ionization Type |
ESI |
SMILES |
C1=C2C(=CC=C1)N=C(N2CCOCC)N1CCCN(CC1)C |
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 |
ms2 |
Technique |
ITMS |