| SpectraBase Spectrum ID |
3buUOD2atHH |
| Name |
MDMB-CHMCZCA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [100.00-415.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C26H31N2O2 |
| InChI |
InChI=1S/C26H30N2O2/c1-26(2,3)24(17-29)27-25(30)19-13-14-23-21(15-19)20-11-7-8-12-22(20)28(23)16-18-9-5-4-6-10-18/h7-8,11-15,18,24H,4-6,9-10,16H2,1-3H3/p+1 |
| InChIKey |
AKVLAMPWWYJPLF-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C1=CC=2C3=CC=CC=C3N(C2C=C1)CC1CCCCC1)=O)C([C+]=O)C(C)(C)C |
| 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 |
