Dataset

DEOXYCARNITINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100121_EBBF contains the MS2 mass spectrum of DEOXYCARNITINE with the InChIkey JHPNVNIEXXLNTR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
SMILES	C[N+](C)(CCCC([O-])=O)C
InChI Key	JHPNVNIEXXLNTR-UHFFFAOYSA-N
Molecular Formula	C7H15NO2
Exact Mass	145.110 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100121_EBBF
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:36:00.447315
MetadataModified	2024-01-11T09:36:00.630960
MetadataPublished	2021-12-10

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
16244	ChEBI
HMDB0001161	Human Metabolome Database
SCHEMBL233637	SureChEMBL
6605	Guide to Pharmacology
725	PubChem
15219151	PubChem: Thomson Pharma
60020725	NMRShiftDB
PD048099	ProbesDrugs
CHEMBL2074645	ChEMBL
4tmeabutn	Recon
407-64-7	ACToR
43129-41-5	ACToR
HD7GI3HY9Q	FDA SRS
164038	Brenda
18230	Brenda
29927	Brenda
9065	Brenda
16244	Rhea
MTBLC16244	Metabolights
104811	Brenda
4523	Brenda
The data in this table is sourced from UniChem at EBI.