Dataset

TERT-BUTYLBENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001542 contains the MS mass spectrum of TERT-BUTYLBENZENE with the InChIkey YTZKOQUCBOVLHL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
SMILES CC(C)(C)c(c1)cccc1
InChI Key YTZKOQUCBOVLHL-UHFFFAOYSA-N
Molecular Formula C10H14
Exact Mass 134.110 g/mol

Data and Resources

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-JP001542
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:52.666196
MetadataModified 2024-01-11T15:56:52.851885
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
M1R2NME7S2 FDA SRS
98-06-6 ACToR
14793786 PubChem: Thomson Pharma
7366 PubChem
VOBFAT CCDC
I7E PDBe
HMDB0258847 Human Metabolome Database
SCHEMBL18889 SureChEMBL
10016561 NMRShiftDB
MCULE-8566444437 Mcule
J43.279B Nikkaji
CB6161293 ChemicalBook
ZINC000001693606 ZINC
DTXSID3047138 EPA CompTox Dashboard
SCHEMBL21925696 SureChEMBL
CHEMBL1797277 ChEMBL
487475 eMolecules
The data in this table is sourced from UniChem at EBI.