| SpectraBase Spectrum ID |
E6RvrnZNmWk |
| Name |
Furosemide |
| CAS Registry Number |
54-31-9 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
330.007720331 u |
| Formula |
C12H11ClN2O5S |
| InChI |
InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) |
| InChIKey |
ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
330.742 g/mol |
| Nominal Mass |
330 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
329 |
| SMILES |
NS(C1=C(C=C(C(C(O)=O)=C1)NCC=1OC=CC1)Cl)(=O)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_67.2 |
