SpectraBase Spectrum ID |
ZIcxTv7mod |
Name |
Dabigatranetexilat MS2 |
Comments |
F: ITMS + c ESI d w Full ms2 628.30 |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C34H41N7O5 |
InChI |
InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44) |
InChIKey |
KSGXQBZTULBEEQ-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(OCCCCCC)=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 |
ms2 |
Technique |
ITMS |