| SpectraBase Spectrum ID |
1vlXZ0m7A2k |
| Name |
Protriptyline-M (nor-HO-ring-sulfate) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H19NO |
| InChI |
InChI=1S/C18H19NO/c19-12-4-8-15-14-6-2-1-5-13(14)10-11-17-16(15)7-3-9-18(17)20/h1-3,5-7,9-11,15,20H,4,8,12,19H2 |
| InChIKey |
NNZLKJYONFPXEF-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C2=C(C(CCCN)C=3C(C=C2)=CC=CC3)C=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 |
