| SpectraBase Spectrum ID |
DMtY1ct6HtD |
| Name |
MDPBP-M (demethylenyl-sulfate) 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. |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-2-11(15-7-3-4-8-15)14(18)10-5-6-12(16)13(17)9-10/h5-6,9,11,16-17H,2-4,7-8H2,1H3 |
| InChIKey |
ACSCEUFNLVVURS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C=CC1O)C(C(CC)N1CCCC1)=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 |
ms3 |
| Technique |
ITMS |
