| SpectraBase Spectrum ID |
60Thk6Fg0FL |
| Name |
DXE MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-185.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H13O |
| InChI |
InChI=1S/C17H15BrClN2/c1-11-10-20-17(13-5-3-4-6-15(13)19)14-9-12(18)7-8-16(14)21(11)2/h3-9,11H,1,10H2,2H3/q+1 |
| InChIKey |
BTVGOLHQSMIREJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]C1CN=C(C2=C(N1C)C=CC(=C2)Br)C1=CC=CC=C1Cl |
| 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 |
