| SpectraBase Spectrum ID |
6AR8HpVroZv |
| Name |
DOM-M (carboxylic acid) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 240.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-7(13)4-8-5-11(17-3)9(12(14)15)6-10(8)16-2/h5-7H,4,13H2,1-3H3,(H,14,15) |
| InChIKey |
FRWTXPXOPHGXDE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=CC(=C(CC(N)C)C=C1OC)OC)=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 |
