Dataset

PROPYL BENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001536 contains the MS mass spectrum of PROPYL BENZENE with the InChIkey ODLMAHJVESYWTB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
SMILES	CCCc(c1)cccc1
InChI Key	ODLMAHJVESYWTB-UHFFFAOYSA-N
Molecular Formula	C9H12
Exact Mass	120.094 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-JP001536
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:40.355383
MetadataModified	2024-01-11T15:55:40.504484
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL286062	ChEMBL
512454	eMolecules
49281	Brenda
11152	Brenda
J5.516F	Nikkaji
CB1128336	ChemicalBook
HMDB0059877	Human Metabolome Database
74843	Brenda
ZINC000001747837	ZINC
DTXSID3042219	EPA CompTox Dashboard
3H0	PDBe
50167945	BindingDB
SCHEMBL40575	SureChEMBL
10009107	NMRShiftDB
MCULE-1436126757	Mcule
LAGYUQ	CCDC
7668	PubChem
42630	ChEBI
0WR86ZHG2Z	FDA SRS
14891473	PubChem: Thomson Pharma
70693-06-0	ACToR
103-65-1	ACToR
77772-42-0	ACToR
The data in this table is sourced from UniChem at EBI.