| SpectraBase Spectrum ID |
JkgTIa01M6K |
| Name |
Benactyzine-M (HO-ring) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 344.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H25NO4 |
| InChI |
InChI=1S/C20H25NO4/c1-3-21(4-2)14-15-25-19(23)20(24,16-8-6-5-7-9-16)17-10-12-18(22)13-11-17/h5-13,22,24H,3-4,14-15H2,1-2H3 |
| InChIKey |
ZRYNLPJMEANBQA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=C(C(O)(C(=O)OCCN(CC)CC)C=2C=CC=CC2)C=C1 |
| 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 |
ms2 |
| Technique |
ITMS |
