| SpectraBase Spectrum ID |
8zvjBKgODg |
| Name |
Californine-M (N-oxide) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 340.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H18NO5 |
| InChI |
InChI=1S/C19H18NO5/c1-20(21)14-2-10-4-16-18(24-8-22-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)25-9-23-17/h4-7,14-15,21H,2-3,8-9H2,1H3/q+1 |
| InChIKey |
HXOBVUPJEIGKQA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O[N+]1(C2C=3C=C4OCOC4=CC3CC1C1=C(C=C3C(=C1)OCO3)C2)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 |
ms2 |
| Technique |
ITMS |
