| SpectraBase Spectrum ID |
2Usn8cIKXxl |
| Name |
U-47700-M (N-demethyl-HO-sulfate) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-325.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C15H18Cl2N2O/c1-18-13-5-3-4-6-14(13)19(2)15(20)10-7-8-11(16)12(17)9-10/h3,5,7-9,13-14,18H,4,6H2,1-2H3/p+1 |
| InChIKey |
WKSSOCYHAINAGN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH2+](C1C=CCCC1N(C(C=1C=CC(=C(C1)Cl)Cl)=O)C)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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
