| SpectraBase Spectrum ID |
CTZv1wRnxaD |
| Name |
ADB-CHMICA-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 371.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H30N2O3 |
| InChI |
InChI=1S/C22H30N2O3/c1-22(2,3)19(21(26)27)23-20(25)17-14-24(13-15-9-5-4-6-10-15)18-12-8-7-11-16(17)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3,(H,23,25)(H,26,27) |
| InChIKey |
YFDOZUYCWXTPTF-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C2=CC=CC=C2N(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 |
