| SpectraBase Spectrum ID |
24DcvVjV3KC |
| Name |
Phthalylsulfathiazole |
| CAS Registry Number |
85-73-4 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
403.029662874 u |
| Formula |
C17H13N3O5S2 |
| InChI |
InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23) |
| InChIKey |
PBMSWVPMRUJMPE-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
403.427 g/mol |
| Nominal Mass |
403 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
404.037 |
| SMILES |
N(S(C1=CC=C(NC(C=2C(C(O)=O)=CC=CC2)=O)C=C1)(=O)=O)C=1SC=CN1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_910.14 |
