| SpectraBase Spectrum ID |
5FsKW0PqWzC |
| Name |
Mesalazin |
| CAS Registry Number |
89-57-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
153.042593086 u |
| Formula |
C7H7NO3 |
| InChI |
InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) |
| InChIKey |
KBOPZPXVLCULAV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
153.137 g/mol |
| Nominal Mass |
153 u |
| Quality |
822 |
| Retention Index |
1171 |
| SMILES |
NC=1C=CC(=C(C(=O)O)C1)O |
| SPLASH |
splash10-0ug0-9800000000-c9682e2ae43ffd1eaf2d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Mesalamine
5-amino-2-hydroxybenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001924 |
