| SpectraBase Spectrum ID |
3r0qsajQORg |
| Name |
Baclofen |
| CAS Registry Number |
1134-47-0 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
213.055656328 u |
| Formula |
C10H12ClNO2 |
| InChI |
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14) |
| InChIKey |
KPYSYYIEGFHWSV-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
213.664 g/mol |
| Nominal Mass |
213 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
214.063 |
| SMILES |
OC(CC(CN)C1=CC=C(Cl)C=C1)=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-amino-3-(4-chlorophenyl)butanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_81.14 |
