| SpectraBase Spectrum ID |
HB1R1mpO9Sx |
| Name |
Boldine-M (N-demethyl-sulfate) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-310.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H16O4/c1-4-10-7-15(20)18(22-3)17-12(10)6-5-11-8-14(19)16(21-2)9-13(11)17/h4,6-9H,1,5H2,2-3H3,(H-,19,20)/p+1 |
| InChIKey |
SAEAIEGUBQWAPU-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C=2[CH+]CC=3C=C(C(=CC3C2C1OC)OC)O)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 |
