| SpectraBase Spectrum ID |
KA9R9jKnKEc |
| Name |
MDAI-M (demethylenyl-acetyl-sulfate) MS3_2 |
| 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/C11H13NO3/c1-6(13)15-11-5-8-3-9(12)2-7(8)4-10(11)14/h4-5,9,14H,2-3,12H2,1H3 |
| InChIKey |
AHGNXCCWHCOPRL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C2C(CC(C2)N)=CC1OC(=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
