Dataset

lauryl sulfate

This MassBank record with Accession MSBNK-Athens_Univ-AU406651 contains the MS2 mass spectrum of lauryl sulfate with the InChIkey MOTZDAYCYVMXPC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
SMILES	CCCCCCCCCCCCOS(=O)(=O)O
InChI Key	MOTZDAYCYVMXPC-UHFFFAOYSA-N
Molecular Formula	C12H26O4S
Exact Mass	266.155 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU406651
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T08:51:53.771495
MetadataModified	2025-02-08T19:01:33.466440
MetadataPublished	2015-12-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID0042088	EPA CompTox Dashboard
DODECYL SULFATE	rxnorm
ZINC000001532179	ZINC
J90.686G	Nikkaji
SDS	PDBe
CHEMBL1204779	ChEMBL
DB03967	DrugBank
60023313	NMRShiftDB
PD006603	ProbesDrugs
14823936	PubChem: Thomson Pharma
22397-58-6	ACToR
151-41-7	ACToR
500579-61-3	ACToR
DIQ16UC154	FDA SRS
6185570	eMolecules
8778	PubChem
45599	ChEBI
SCHEMBL3353	SureChEMBL
44356	Brenda
15746	Brenda
93301	Brenda
114740	Brenda
97916	Brenda
The data in this table is sourced from UniChem at EBI.