Dataset

1-METHYL-4-ISOPROPENYLCYCLOHEXENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002318 contains the MS mass spectrum of 1-METHYL-4-ISOPROPENYLCYCLOHEXENE with the InChIkey XMGQYMWWDOXHJM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
SMILES	CC(=C)C(C1)CC([H])=C(C)C1
InChI Key	XMGQYMWWDOXHJM-UHFFFAOYSA-N
Molecular Formula	C10H16
Exact Mass	136.125 g/mol

Data and Resources

1-METHYL-4-ISOPROPENYLCYCLOHEXENEHTML
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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-JP002318
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:09.848962
MetadataModified	2024-01-11T15:57:10.048749
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
498518	eMolecules
CHEMBL15799	ChEMBL
15384	ChEBI
C06078	KEGG Ligand
65996-98-7	ACToR
5989-54-8	ACToR
26123-39-7	ACToR
138-86-3	ACToR
PD001977	ProbesDrugs
5989-27-5	ACToR
15146675	PubChem: Thomson Pharma
6876-12-6	ACToR
J2.532A	Nikkaji
SCHEMBL8829	SureChEMBL
10008727	NMRShiftDB
AHEXES	CCDC
LIMONENE, ()-	rxnorm
9MC3I34447	FDA SRS
MCULE-2462317444	Mcule
DTXSID2029612	EPA CompTox Dashboard
22311	PubChem
9366	Brenda
MTBLC15384	Metabolights
HMDB0032473	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.