| SpectraBase Spectrum ID |
3Ad7uhaYisG |
| Name |
PX-1-M (HOOC-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-425.00] |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC(C(CC=1C=CC=CC1)NC(C=1C2=C(N(C1)CCCCCF)C=CC=C2)=O)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
