| SpectraBase Spectrum ID |
AA9s4dj7YW |
| Name |
Dabigatranetexilat MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [130.00-540.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C28H28N7O4 |
| InChI |
InChI=1S/C28H28N7O4/c1-3-39-26(37)13-15-35(24-6-4-5-14-30-24)28(38)20-9-12-23-22(16-20)33-25(34(23)2)17-31-21-10-7-19(8-11-21)27(29)32-18-36/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H2,29,32,36)/q+1 |
| InChIKey |
ZMNSZVGEANIZOG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CC1=NC=2C=C(C=CC2N1C)C(N(C1=CC=CC=N1)CCC(OCC)=O)=O)C1=CC=C(\C(N)=N\[C+]=O)C=C1 |
| 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 |
