| SpectraBase Spectrum ID |
LaDE9dSYbwR |
| Name |
Chavicine MS2 |
| CAS Registry Number |
495-91-0 |
| Comments |
F: ITMS + c ESI d w Full ms2 286.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2-,7-3+ |
| InChIKey |
MXXWOMGUGJBKIW-MFDSWNTHSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C(\C=C\C=C/C1=CC=C2C(=C1)OCO2)(N1CCCCC1)=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 |
ms2 |
| Technique |
ITMS |
