| SpectraBase Spectrum ID |
9AVhKRgv44 |
| Name |
Nintedanib MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [120.00-495.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C28H27N4O4 |
| InChI |
InChI=1S/C28H26N4O4/c1-31(2)17-24(33)32(3)21-13-11-20(12-14-21)29-26(18-8-6-5-7-9-18)25-22-15-10-19(28(35)36-4)16-23(22)30-27(25)34/h5-16H,1,17H2,2-4H3,(H-,29,30,34,35)/p+1 |
| InChIKey |
KXMFERIBELDCGB-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(\C(=C/(C2=CC=CC=C2)NC2=CC=C(C=C2)N(C)C(=O)C[N+](C)=C)C2=CC=C(C=C12)C(=O)OC)=O |
| 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 |
