| SpectraBase Spectrum ID |
ECDYenWy4ku |
| Name |
Metamizol artifact MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 230.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H16N3O |
| InChI |
InChI=1S/C13H16N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,2H2,1,3-4H3/q+1 |
| InChIKey |
WDKGYVFRZANDBA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]N(C=1C(N(N(C1C)C)C=1C=CC=CC1)=O)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 |
ms2 |
| Technique |
ITMS |
