Dataset

META NITRO PHENOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000216 contains the MS mass spectrum of META NITRO PHENOL with the InChIkey RTZZCYNQPHTPPL-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
SMILES	Oc(c1)cc(cc1)[N+1]([O-1])=O
InChI Key	RTZZCYNQPHTPPL-UHFFFAOYSA-N
Molecular Formula	C6H5NO3
Exact Mass	139.027 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-JP000216
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:07.993346
MetadataModified	2025-02-09T13:00:03.555586
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C14418	KEGG Ligand
CHEMBL13888	ChEMBL
34346	ChEBI
MNPHOL	CCDC
HMDB0245949	Human Metabolome Database
ZINC000001576887	ZINC
DTXSID2025765	EPA CompTox Dashboard
1857	Brenda
ZCQ	PDBe
CB3728637	ChemicalBook
9210	Brenda
MCULE-3385567100	Mcule
20045305	NMRShiftDB
11137	PubChem
T6P4T52V9W	FDA SRS
SCHEMBL50135	SureChEMBL
554-84-7	ACToR
15170751	PubChem: Thomson Pharma
484526	eMolecules
The data in this table is sourced from UniChem at EBI.