Dataset

Trimethylamine N-oxide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO004178 contains the MS2 mass spectrum of Trimethylamine N-oxide with the InChIkey UYPYRKYUKCHHIB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
SMILES C[N+1](C)(C)[O-1]
InChI Key UYPYRKYUKCHHIB-UHFFFAOYSA-N
Molecular Formula C3H9NO
Exact Mass 75.068 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-Keio_Univ-KO004178
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N,N-dimethylmethanamine oxide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:15724 chebi
    TMO rcsb_pdb
    119284 surechembl
    1145 pubchem
    FLD0K1SJ1A fdasrs
    PD053853 probes_and_drugs
    TMEAMO CCDC
    1480 brenda
    176196 brenda
    41822 brenda
    5623 brenda
    HMDB0000925 hmdb
    Molport-001-783-322 molport
    Molport-044-561-425 molport
    The data in this table is sourced from UniChem at EBI.