| SpectraBase Spectrum ID |
9UN5NnjKXg |
| Name |
THJ MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 359.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H22N4O |
| InChI |
InChI=1S/C22H22N4O/c1-2-3-6-15-26-19-13-5-4-11-17(19)21(25-26)22(27)24-18-12-7-9-16-10-8-14-23-20(16)18/h4-5,7-14H,2-3,6,15H2,1H3,(H,24,27) |
| InChIKey |
YAYIQXMTUCPLHG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C2=C(C=CC=C2)N(N1)CCCCC)=O)C1=CC=CC2=C1N=CC=C2 |
| 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 |
