| SpectraBase Spectrum ID |
JkGtUdqvsAz |
| Name |
Acetylsalicylic acid |
| CAS Registry Number |
50-78-2 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
180.042258734 u |
| Formula |
C9H8O4 |
| InChI |
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey |
BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
180.159 g/mol |
| Nominal Mass |
180 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
179.035 |
| SMILES |
OC(=O)C=1C(OC(=O)C)=CC=CC1 |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-acetyloxybenzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_15.10 |
