Dataset

SEC-BUTYL ALCOHOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007111 contains the MS mass spectrum of SEC-BUTYL ALCOHOL with the InChIkey BTANRVKWQNVYAZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
SMILES	CCC(C)O
InChI Key	BTANRVKWQNVYAZ-UHFFFAOYSA-N
Molecular Formula	C4H10O
Exact Mass	74.073 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-JP007111
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:54:53.954108
MetadataModified	2024-01-11T15:54:54.101692
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD042389	ProbesDrugs
15892-23-6	ACToR
78-92-2	ACToR
14818054	PubChem: Thomson Pharma
13020-06-9	ACToR
4221-99-2	ACToR
10008032	NMRShiftDB
J2.832K	Nikkaji
SCHEMBL1418	SureChEMBL
MCULE-5005120003	Mcule
104793	Brenda
CB0751661	ChemicalBook
6568	PubChem
4337	Brenda
CB8441652	ChemicalBook
1132	Brenda
HMDB0011469	Human Metabolome Database
61219	Brenda
35687	Rhea
DTXSID9021762	EPA CompTox Dashboard
0TUL3ENK62	FDA SRS
CHEMBL45462	ChEMBL
35687	ChEBI
487263	eMolecules
The data in this table is sourced from UniChem at EBI.