| SpectraBase Spectrum ID |
8pK2dzg2aW |
| Name |
NNEI-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 387.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C24H22N2O3 |
| InChI |
InChI=1S/C24H22N2O3/c27-23(28)14-5-6-15-26-16-20(19-11-3-4-13-22(19)26)24(29)25-21-12-7-9-17-8-1-2-10-18(17)21/h1-4,7-13,16H,5-6,14-15H2,(H,25,29)(H,27,28) |
| InChIKey |
AIYCFJPAHUUZJN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CCCCN1C2=C(C(C(NC3=CC=CC4=C3C=CC=C4)=O)=C1)C=CC=C2)=O |
| 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 |
