| SpectraBase Spectrum ID |
HnZtmWdp9Wt |
| Name |
Sertraline |
| CAS Registry Number |
79617-96-2 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-330.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H17Cl2N |
| InChI |
InChI=1S/C17H17Cl2N/c1-20-16-10-9-12(11-5-2-3-6-13(11)16)14-7-4-8-15(18)17(14)19/h2-8,12,16,20H,9-10H2,1H3 |
| InChIKey |
HSBAOQBIJBVXFV-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N(C1CCC(C=2C1=CC=CC2)C=1C(=C(Cl)C=CC1)Cl)C |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
