| SpectraBase Spectrum ID |
CFwqKvJaOXZ |
| Name |
Tirofiban MS2 |
| CAS Registry Number |
144494-65-5 |
| Comments |
F: ITMS + c ESI d w Full ms2 441.35 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H36N2O5S |
| InChI |
InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26) |
| InChIKey |
COKMIXFXJJXBQG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CCC(CCCCOC2=CC=C(CC(C(O)=O)NS(=O)(=O)CCCC)C=C2)CC1 |
| 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 |
