| SpectraBase Spectrum ID |
DGuTDLUUoym |
| Name |
Captopril artifact (disulfide) ME MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 447.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H30N2O6S2 |
| InChI |
InChI=1S/C19H30N2O6S2/c1-12(16(22)20-8-4-6-14(20)18(24)25)10-28-29-11-13(2)17(23)21-9-5-7-15(21)19(26)27-3/h12-15H,4-11H2,1-3H3,(H,24,25) |
| InChIKey |
AJCMLCBEJPGLCT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1N(C(C(CSSCC(C(N2C(C(OC)=O)CCC2)=O)C)C)=O)CCC1)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
