| SpectraBase Spectrum ID |
8pITrAALVw |
| Name |
Acenocoumarol MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-310.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H9NO5/c18-15-12-3-1-2-4-14(12)22-16(19)13(15)9-10-5-7-11(8-6-10)17(20)21/h1-9H/p+1/b13-9- |
| InChIKey |
NMKSDYPFYCYJFD-LCYFTJDESA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH+]=C1\C(=C\C2=CC=C(C=C2)N(=O)=O)C(OC=2C1=CC=CC2)=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
