| SpectraBase Spectrum ID |
6pMdZ4CDlg |
| Name |
Tirofiban artifact (+ME) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 455.36 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H38N2O5S |
| InChI |
InChI=1S/C23H38N2O5S/c1-3-4-17-31(27,28)25-22(23(26)29-2)18-20-8-10-21(11-9-20)30-16-6-5-7-19-12-14-24-15-13-19/h8-11,19,22,24-25H,3-7,12-18H2,1-2H3 |
| InChIKey |
GAUQFJNEARCHEN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CCC(CCCCOC2=CC=C(CC(C(OC)=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 |
