| SpectraBase Spectrum ID |
5LFWLWRi4In |
| Name |
Ibuprofen |
| CAS Registry Number |
15687-27-1 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
| InChIKey |
HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
205.123 |
| SMILES |
OC(=O)C(C1=CC=C(CC(C)C)C=C1)C |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_78.6 |
