| SpectraBase Spectrum ID |
2mdBKCOpKk2 |
| Name |
Mesalazine ME2AC @ |
| Classification |
Anti-inflammatory
for colitis ulcerosa |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
251.079372518 u |
| Formula |
C12H13NO5 |
| InChI |
InChI=1S/C12H13NO5/c1-7(14)13-9-4-5-10(12(16)17-3)11(6-9)18-8(2)15/h4-6H,1-3H3,(H,13,14) |
| InChIKey |
STQLRWBYYGWCCY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
251.238 g/mol |
| SMILES |
c1(c(cc(NC(=O)C)cc1)OC(=O)C)C(=O)OC |
| SPLASH |
splash10-0570-2940000000-41d7f7d69dd5d15e538d |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Sulfasalazine artifact ME2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4485 |
