| SpectraBase Spectrum ID |
2WX28Uy8GaQ |
| Name |
XLR-12-M (HO-) isomer 1 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H15F3NO |
| InChI |
InChI=1S/C16H15F3NO/c1-2-6-15(21)13-11-20(10-5-9-16(17,18)19)14-8-4-3-7-12(13)14/h2-4,6-8,11H,1,5,9-10H2/q+1 |
| InChIKey |
HZRFJHHCJJTDPD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=CC2=C(C=C1)C(=CN2CCCC(F)(F)F)C(=O)[CH+]C=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
