Dataset

Chlorprothixene

This MassBank record with Accession MSBNK-Eawag-EQ01165102 contains the MS2 mass spectrum of Chlorprothixene with the InChIkey WSPOMRSOLSGNFJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3
SMILES CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI Key WSPOMRSOLSGNFJ-UHFFFAOYSA-N
Molecular Formula C18H18ClNS
Exact Mass 315.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01165102
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:01:35.852237
MetadataModified 2025-02-09T10:01:36.097336
MetadataPublished 2024-01-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3651 ChEBI
CMAPTX CCDC
2729 PubChem
PA164781400 PharmGKB
PD009945 ProbesDrugs
LSM-3310 LINCS
1986150 eMolecules
HMDB0015369 Human Metabolome Database
MCULE-7221241811 Mcule
SCHEMBL94236 SureChEMBL
The data in this table is sourced from UniChem at EBI.