| SpectraBase Spectrum ID |
EufwAOQjBea |
| Name |
Enterosulphamid |
| CAS Registry Number |
131-69-1 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
362.057257347 u |
| Formula |
C16H14N2O6S |
| InChI |
InChI=1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22) |
| InChIKey |
SNWQKAWITMVCQW-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
362.356 g/mol |
| Nominal Mass |
362 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
363.065 |
| SMILES |
N(S(C1=CC=C(NC(C=2C(C(O)=O)=CC=CC2)=O)C=C1)(=O)=O)C(=O)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_756.5 |
