| SpectraBase Spectrum ID |
5VZu6NUxzE |
| Name |
Spirapril MS2 |
| CAS Registry Number |
83647-97-6 |
| Comments |
F: ITMS + c ESI d w Full ms2 467.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H30N2O5S2 |
| InChI |
InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27) |
| InChIKey |
HRWCVUIFMSZDJS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1N(C(C(NC(C(=O)OCC)CCC=2C=CC=CC2)C)=O)CC2(C1)SCCS2)=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 |
