Dataset

acetaminophen_BTP_M3

This MassBank record with Accession MSBNK-UoB-XB000502 contains the MS2 mass spectrum of acetaminophen_BTP_M3 with the InChIkey IPROLSVTVHAQLE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)
SMILES CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O
InChI Key IPROLSVTVHAQLE-UHFFFAOYSA-N
Molecular Formula C14H17NO8
Exact Mass 327.095 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-XB000502
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:09:34.347370
MetadataModified 2025-02-09T19:56:19.841794
MetadataPublished 2023-05-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0247905 Human Metabolome Database
4022661 PubChem
SCHEMBL13750541 SureChEMBL
PD117457 ProbesDrugs
The data in this table is sourced from UniChem at EBI.