Dataset

N,N-dimethylmethanamine oxide, Trimethylamine N-oxide dihydrate, TMANO, N,N-Dimethylmethanamine oxide, TMAO

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT109613 contains the MS2 mass spectrum of N,N-dimethylmethanamine oxide, Trimethylamine N-oxide dihydrate, TMANO, N,N-Dimethylmethanamine oxide, TMAO with the InChIkey UYPYRKYUKCHHIB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
SMILES	C[N+](C)(C)[O-]
InChI Key	UYPYRKYUKCHHIB-UHFFFAOYSA-N
Molecular Formula	C3H9NO
Exact Mass	75.111 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT109613
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:08:06.829830
MetadataModified	2025-02-09T19:19:46.619789
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
TMO	PDBe
15724	ChEBI
C01104	KEGG Ligand
J7.304K	Nikkaji
TMEAMO	CCDC
HY-116084	MedChemExpress
DTXSID8049678	EPA CompTox Dashboard
CB6140124	ChemicalBook
1480	Brenda
HMDB0000925	Human Metabolome Database
15724	Rhea
5623	Brenda
41822	Brenda
ZINC000000895494	ZINC
MTBLC15724	Metabolights
20200229	NMRShiftDB
1145	PubChem
SCHEMBL119284	SureChEMBL
14747330	PubChem: Thomson Pharma
16068271	PubChem: Thomson Pharma
1184-78-7	ACToR
PD053853	ProbesDrugs
FLD0K1SJ1A	FDA SRS
497263	eMolecules
The data in this table is sourced from UniChem at EBI.