| SpectraBase Spectrum ID |
2ioLBqc7prC |
| Name |
Atracurium-M/artifact (demethyl) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H20O4/c1-5-14-11-18(22-3)19(23-4)12-15(14)8-6-13-7-9-16(20)17(10-13)21-2/h5,7-12H,1,6H2,2-4H3/p+1 |
| InChIKey |
COWHGGHJNKQDEL-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=C(C[CH+]C=2C(C=C)=CC(=C(C2)OC)OC)C=C1)OC |
| 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 |
ms3 |
| Technique |
ITMS |
