| SpectraBase Spectrum ID |
GKLJbqCvQr2 |
| Name |
ADB-CHMCZCA-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 421.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C26H32N2O3 |
| InChI |
InChI=1S/C26H32N2O3/c1-26(2,3)23(25(30)31)27-24(29)18-13-14-22-20(15-18)19-11-7-8-12-21(19)28(22)16-17-9-5-4-6-10-17/h7-8,11-15,17,23H,4-6,9-10,16H2,1-3H3,(H,27,29)(H,30,31) |
| InChIKey |
LFWCRJXAFABSSO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C1=CC=2C3=CC=CC=C3N(C2C=C1)CC1CCCCC1)=O)C(C(O)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
