| SpectraBase Spectrum ID |
K2WHncczX31 |
| Name |
AL-LAD MS2 |
| CAS Registry Number |
65527-61-9 |
| Comments |
F: ITMS + c ESI d w Full ms2 350.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H27N3O |
| InChI |
InChI=1S/C22H27N3O/c1-4-10-25-14-16(22(26)24(5-2)6-3)11-18-17-8-7-9-19-21(17)15(13-23-19)12-20(18)25/h4,7-9,11,13,16,20,23H,1,5-6,10,12,14H2,2-3H3 |
| InChIKey |
JCQLEPDZFXGHHQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=C2CC3C(C=4C2=C1C=CC4)=CC(CN3CC=C)C(=O)N(CC)CC |
| 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 |
