Dataset

ISOPROPENYLBENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012250 contains the MS mass spectrum of ISOPROPENYLBENZENE with the InChIkey XYLMUPLGERFSHI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
SMILES	CC(=C)c(c1)cccc1
InChI Key	XYLMUPLGERFSHI-UHFFFAOYSA-N
Molecular Formula	C9H10
Exact Mass	118.078 g/mol

Data and Resources

ISOPROPENYLBENZENEHTML
Explore
- More information
- Go to resource

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-JP012250
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:06.036165
MetadataModified	2024-01-11T15:56:06.199148
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.582C	Nikkaji
FADCUJ	CCDC
D46R9753IK	FDA SRS
SCHEMBL6577	SureChEMBL
10009333	NMRShiftDB
165169-27-7	ACToR
25013-15-4	ACToR
7407	PubChem
15218864	PubChem: Thomson Pharma
98-83-9	ACToR
HMDB0059899	Human Metabolome Database
165633	Brenda
CB5302758	ChemicalBook
35060	ChEBI
MCULE-3507413504	Mcule
DTXSID9025661	EPA CompTox Dashboard
ZINC000001699968	ZINC
506420	eMolecules
C14395	KEGG Ligand
CHEMBL1344773	ChEMBL
The data in this table is sourced from UniChem at EBI.