Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
SMILES O=Cc1ccccc1N
InChI Key FXWFZIRWWNPPOV-UHFFFAOYSA-N
Molecular Formula C7H7NO
Exact Mass 121.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/FXWFZIRWWNPPOV-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:46:55.875888
MetadataModified 2024-09-08T00:46:55.875892
MetadataPublished 2023-03-14
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
68255 PubChem
534800 eMolecules
529-23-7 ACToR
EG769PG2AX FDA SRS
SCHEMBL25505 SureChEMBL
51723-15-0 ACToR
15170598 PubChem: Thomson Pharma
20163178 NMRShiftDB
MCULE-3748234668 Mcule
21400 Brenda
CB7279021 ChemicalBook
19910 Brenda
J6.682F Nikkaji
DTXSID6060183 EPA CompTox Dashboard
ZINC000004202514 ZINC
The data in this table is sourced from UniChem at EBI.