| SpectraBase Spectrum ID |
2nD05qDpecq |
| Name |
Metamizole-M (-CH2-SO3H) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
259.132076797 u |
| Formula |
C14H17N3O2 |
| InChI |
InChI=1S/C14H17N3O2/c1-10-13(15(3)11(2)18)14(19)17(16(10)4)12-8-6-5-7-9-12/h5-9H,1-4H3 |
| InChIKey |
ATXGXLFQLOOFBE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
259.309 g/mol |
| Nominal Mass |
259 u |
| Quality |
942 |
| Retention Index |
2325 |
| SMILES |
C1(N(N(C(=C1N(C(=O)C)C)C)C)C=1C=CC=CC1)=O |
| SPLASH |
splash10-0a4i-9150000000-ea8e13c1374848ac0268 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methylacetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014300 |
