| SpectraBase Spectrum ID |
9f2pifzm9g |
| Name |
Spirapril artifact ME MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [95.00-420.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C20H27N2O3S2/c1-15(21-10-6-9-16-7-4-3-5-8-16)18(23)22-14-20(26-11-12-27-20)13-17(22)19(24)25-2/h3-5,7-8,10,15,17,21H,6,9,11-14H2,1-2H3/q+1 |
| InChIKey |
IMTHYVPBEWJRSX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N([CH+]CCC=1C=CC=CC1)C(C(=O)N1CC2(SCCS2)CC1C(OC)=O)C |
| 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 |
ms3 |
| Technique |
ITMS |
