Dataset

acetaminophen_BTP_M1

This MassBank record with Accession MSBNK-UoB-XB000501 contains the MS2 mass spectrum of acetaminophen_BTP_M1 with the InChIkey IPFBMHOMTSBTSU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10)
SMILES CC(=O)NC1=CC(=C(C=C1)O)O
InChI Key IPFBMHOMTSBTSU-UHFFFAOYSA-N
Molecular Formula C8H9NO3
Exact Mass 167.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000501
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:09:20.931427
MetadataModified 2025-02-09T19:56:17.085688
MetadataPublished 2023-04-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
161950 PubChem
HY-G0004 MedChemExpress
J354.293I Nikkaji
DTXSID50190960 EPA CompTox Dashboard
ZINC000001557001 ZINC
CB3674428 ChemicalBook
78321 Brenda
8321566 eMolecules
15243343 PubChem: Thomson Pharma
37519-14-5 ACToR
SCHEMBL3192352 SureChEMBL
IX22A3NJLN FDA SRS
PD100518 ProbesDrugs
The data in this table is sourced from UniChem at EBI.