| SpectraBase Spectrum ID |
rNqctHmxsp |
| Name |
Protriptyline-M (HO-ring) isomer 2 MS3_1 |
| Comments |
F: 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/c1-2-7-13-14-8-3-5-10-16(14)18(12-19)17-11-6-4-9-15(13)17/h3-6,8-13H,1-2,7H2/p+1/b18-12- |
| InChIKey |
OUJABFJHPZJURO-PDGQHHTCSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=C1C2=C(C(CC[CH2+])C3=C1C=CC=C3)C=CC=C2 |
| 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 |
