Dataset

PHENYL SULFIDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005878 contains the MS mass spectrum of PHENYL SULFIDE with the InChIkey LTYMSROWYAPPGB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
SMILES	c(c2)ccc(c2)Sc(c1)cccc1
InChI Key	LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula	C12H10S
Exact Mass	186.050 g/mol

Data and Resources

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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-JP005878
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:57.993758
MetadataModified	2024-01-11T15:56:58.171597
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
44062	Brenda
32626	Brenda
108884	Brenda
CB1727212	ChemicalBook
DTXSID8044383	EPA CompTox Dashboard
ZINC000001679972	ZINC
14772842	PubChem: Thomson Pharma
8766	PubChem
139-66-2	ACToR
B5P3Y93MNR	FDA SRS
SCHEMBL452	SureChEMBL
PD065592	ProbesDrugs
J2.023K	Nikkaji
10006146	NMRShiftDB
MCULE-3554308551	Mcule
HMDB0251452	Human Metabolome Database
38959	ChEBI
CHEMBL219876	ChEMBL
501577	eMolecules
The data in this table is sourced from UniChem at EBI.