| SpectraBase Spectrum ID |
6KLzxozmNM |
| Name |
Glisoxepide-M (HO-ring) isomer 1 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-340.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H15N3O5S/c1-8-6-11(16-21-8)13(18)15-5-4-9-2-3-10(7-12(9)17)22(14,19)20/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)(H2,14,19,20)/p+1 |
| InChIKey |
YZWJAQCANOQGGJ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]S(C1=CC(=C(C=C1)CCNC(C=1C=C(ON1)C)=O)O)(=O)=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 |
