Dataset

1-PHENYLPYRAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002017 contains the MS mass spectrum of 1-PHENYLPYRAZOLE with the InChIkey WITMXBRCQWOZPX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
SMILES c(c2)ccc(c2)n(c1)ncc1
InChI Key WITMXBRCQWOZPX-UHFFFAOYSA-N
Molecular Formula C9H8N2
Exact Mass 144.069 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-JP002017
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:48.333495
MetadataModified 2024-01-11T15:57:48.482869
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14891592 PubChem: Thomson Pharma
1126-00-7 ACToR
70769 PubChem
20040813 NMRShiftDB
J46.499F Nikkaji
MCULE-6827953904 Mcule
SCHEMBL27250 SureChEMBL
HMDB0243996 Human Metabolome Database
DTXSID30150108 EPA CompTox Dashboard
50078821 BindingDB
ZINC000000409243 ZINC
201458 Brenda
CB8253136 ChemicalBook
38879 ChEBI
CHEMBL316415 ChEMBL
494153 eMolecules
The data in this table is sourced from UniChem at EBI.