| SpectraBase Spectrum ID |
6vSwnEXMCwn |
| Name |
3-CAF MS3_1 |
| 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. |
| Formula |
C14H8FN2O |
| InChI |
InChI=1S/C14H8FN2O/c15-11-6-2-4-8-14(11)17-13-7-3-1-5-10(13)12(9-18)16-17/h1-8H/q+1 |
| InChIKey |
AZLSCUACUZRUMI-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+](C=1C2=C(N(N1)C1=C(C=CC=C1)F)C=CC=C2)=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 |
