| SpectraBase Spectrum ID |
L8t0jCRliFD |
| Name |
Amitriptyline-M (nor-HO-sulfate) isomer 2 MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H16O/c1-2-5-18-16-7-4-3-6-13(16)8-9-14-12-15(19)10-11-17(14)18/h3-7,10-12H,1-2,8-9H2/p+1/b18-5+ |
| InChIKey |
ADIFWDROELDGHT-BLLMUTORSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C2C(\C(=C\C[CH2+])C3=CC=CC=C3CC2)=CC1 |
| 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 |
