Dataset

BENZYL 2-HYDROXYPHENYL SULFIDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007966 contains the MS mass spectrum of BENZYL 2-HYDROXYPHENYL SULFIDE with the InChIkey OWZPCVGKLYOVLV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H12OS/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
SMILES Oc(c2)c(ccc2)SCc(c1)cccc1
InChI Key OWZPCVGKLYOVLV-UHFFFAOYSA-N
Molecular Formula C13H12OS
Exact Mass 216.061 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007966
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:16.613154
MetadataModified 2024-01-11T15:57:16.796372
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL3797348 ChEMBL
MCULE-6688461964 Mcule
J133.562F Nikkaji
ZINC000032241303 ZINC
SCHEMBL77392 SureChEMBL
563398 PubChem
The data in this table is sourced from UniChem at EBI.