| SpectraBase Spectrum ID |
3FODtHnavPJ |
| Name |
Acetylcysteine |
| CAS Registry Number |
616-91-1 |
| Collision Energy |
20 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
163.030314325 u |
| Formula |
C5H9NO3S |
| InChI |
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 |
| InChIKey |
PWKSKIMOESPYIA-BYPYZUCNSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
163.191 g/mol |
| Nominal Mass |
163 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
162.023 |
| SMILES |
SC[C@@](C(O)=O)(NC(=O)C)[H] |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2R)-2-acetamido-3-sulfanylpropanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_13.3 |
