| SpectraBase Spectrum ID |
Im695oJKMBQ |
| Name |
Metamizol-M/artifact (-SO3H) ME MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 246.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H20N3O |
| InChI |
InChI=1S/C14H20N3O/c1-11-13(17(3,4)5)14(18)16(15(11)2)12-9-7-6-8-10-12/h6-10H,1-5H3/q+1 |
| InChIKey |
YMTPNDINESFRDP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1(N2C(C(=C(N2C)C)[N+](C)(C)C)=O)C=CC=CC1 |
| 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 |
