| SpectraBase Spectrum ID |
96xWRQTDY5I |
| Name |
Boldine-M (533) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-19-4-3-9-6-15(22)18(23-2)17-11-8-14(21)13(20)7-10(11)5-12(19)16(9)17/h6-8,12,20-22H,3-5H2,1-2H3 |
| InChIKey |
CMXOUPGCSOHXFD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=2C=3C=C(C(=CC3CC3N(CCC(=C1)C23)C)O)O)OC |
| 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 |
