| SpectraBase Spectrum ID |
9gVZQ3XpkDf |
| Name |
Polythiazide_neg |
| CAS Registry Number |
346-18-9 |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-465.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H13ClF3N3O4S3 |
| InChI |
InChI=1S/C11H13ClF3N3O4S3/c1-18-7-2-6(12)8(24(16,19)20)3-9(7)25(21,22)17-10(18)4-23-5-11(13,14)15/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20) |
| InChIKey |
ZZJVNMARMAKEJI-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
N1S(C=2C(=CC(=C(S(N)(=O)=O)C2)Cl)N(C)C1CSCC(F)(F)F)(=O)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
