| SpectraBase Spectrum ID |
EiBVgk1fuMq |
| Name |
PX-1-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 397.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H25FN2O3 |
| InChI |
InChI=1S/C23H25FN2O3/c24-13-7-2-8-14-26-16-19(18-11-5-6-12-21(18)26)22(27)25-20(23(28)29)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H,25,27)(H,28,29) |
| InChIKey |
MPKQJJLLNZYXQT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C(CC=1C=CC=CC1)NC(C=1C2=C(N(C1)CCCCCF)C=CC=C2)=O)=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 |
ms2 |
| Technique |
ITMS |
