Dataset

PARA-TOLUIDINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002293 contains the MS mass spectrum of PARA-TOLUIDINE with the InChIkey RZXMPPFPUUCRFN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
SMILES	Cc(c1)ccc(N)c1
InChI Key	RZXMPPFPUUCRFN-UHFFFAOYSA-N
Molecular Formula	C7H9N
Exact Mass	107.073 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-JP002293
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:12:14.055033
MetadataModified	2025-02-09T12:57:53.222084
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL58521	ChEMBL
37825	ChEBI
J3.612I	Nikkaji
91731	Brenda
50008562	BindingDB
DTXSID6021872	EPA CompTox Dashboard
TOLDIN	CCDC
HMDB0256058	Human Metabolome Database
CB4915401	ChemicalBook
7813	PubChem
14867181	PubChem: Thomson Pharma
I1D0KL7I4U	FDA SRS
4MN	PDBe
26915-12-8	ACToR
SCHEMBL11887	SureChEMBL
25640-74-8	ACToR
106-49-0	ACToR
540-23-8	ACToR
484435	eMolecules
50921	Brenda
123916	Brenda
9059	Brenda
ZINC000004774057	ZINC
38013	Brenda
CB8381150	ChemicalBook
MCULE-1635792225	Mcule
20035463	NMRShiftDB
The data in this table is sourced from UniChem at EBI.