| SpectraBase Spectrum ID |
7UiG9Rtitc |
| Name |
1B-LSD MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H27N2O2 |
| InChI |
InChI=1S/C22H27N2O2/c1-4-8-21(26)24-15-17-12-11-16(13-14-20(25)23(5-2)6-3)18-9-7-10-19(24)22(17)18/h7,9-11,13,15H,4-6,8,12,14H2,1-3H3/q+1/b16-13+ |
| InChIKey |
BZKVRAWIZKTKRM-DTQAZKPQSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=2C3=C(N(C=C3C[CH+]\C1=C\CC(N(CC)CC)=O)C(CCC)=O)C=CC2 |
| 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 |
