| SpectraBase Spectrum ID |
4rGbVzuTJKZ |
| Name |
STS-135-M (di-HO-) isomer 2 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H18FN2O |
| InChI |
InChI=1S/C14H17FN2O/c15-8-4-1-5-9-17-10-12(14(16)18)11-6-2-3-7-13(11)17/h2-3,6-7,10H,1,4-5,8-9H2,(H2,16,18)/p+1 |
| InChIKey |
CHYJTZQHJBFEOX-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]C(C=1C2=C(N(C1)CCCCCF)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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
