Dataset

D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS020501 contains the MS2 mass spectrum of D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt with the InChIkey PHIQHXFUZVPYII-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
SMILES	C[N+](C)(C)CC(CC(=O)[O-])O
InChI Key	PHIQHXFUZVPYII-UHFFFAOYSA-N
Molecular Formula	C7H15NO3
Exact Mass	161.201 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-PS020501
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:28.737719
MetadataModified	2024-01-11T21:07:28.931912
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MTBLC17126	Metabolights
CB1400043	ChemicalBook
CB8400042	ChemicalBook
4241	Brenda
17126	Rhea
carnitine	DailyMed
901780	eMolecules
60023496	NMRShiftDB
15147003	PubChem: Thomson Pharma
461-06-3	ACToR
PD055488	ProbesDrugs
SCHEMBL21971	SureChEMBL
288	PubChem
MCULE-6432281267	Mcule
CHEMBL172513	ChEMBL
17126	ChEBI
CARNITINE CHLORIDE	rxnorm
CARNITINE	rxnorm
CARNITINE	clinicaltrials
CARNITOR	clinicaltrials
LEVOCARNITINE	clinicaltrials
HY-B0399A	MedChemExpress
CB41124723	ChemicalBook
S7UI8SM58A	FDA SRS
CARNITINE	DailyMed
DTXSID3022744	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.