| SpectraBase Spectrum ID |
6SgwL3p8vbS |
| Name |
Boldine-M (533) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-295.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C17H14O4/c1-3-9-6-15(20)17(21-2)16-11(9)5-4-10-7-13(18)14(19)8-12(10)16/h3,5-8H,1,4H2,2H3,(H2-,18,19,20)/p+1 |
| InChIKey |
IMJLMKNSVJUQFW-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C2=C(C=3C=C(C(=CC3C[CH+]2)O)O)C1OC)C=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 |
ms3 |
| Technique |
ITMS |
