| SpectraBase Spectrum ID |
5IoZmaZ0f9w |
| Name |
2-FA MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 154.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C9H12FN |
| InChI |
InChI=1S/C19H13ClN6O/c1-12-21-18(20)17(11-27)26(12)10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)19-22-24-25-23-19/h2-11H,1H2,(H,21,27)/p+1 |
| InChIKey |
YKXBHSNLQVDGMJ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1N=NN=C1C1=C(C2=CC=C(\C=[N+]/3\C(=C\O)C(=NC3=C)Cl)C=C2)C=CC=C1 |
| 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 |
