| SpectraBase Spectrum ID |
3GrdfwlWla3 |
| Name |
Maprotiline-M (nor-HO-sulfate) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-275.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H19O/c1-13(20)12-19-11-10-14(15-6-2-4-8-17(15)19)16-7-3-5-9-18(16)19/h2-9,13-14,20H,1,10-12H2/q+1/t13?,14-,19- |
| InChIKey |
JBTRWORYYBVIPK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC([CH2+])C[C@]12C3=C([C@@](C=4C2=CC=CC4)(CC1)[H])C=CC=C3 |
| 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 |
