Dataset

Epinephrine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01112 contains the MS2 mass spectrum of Epinephrine with the InChIkey UCTWMZQNUQWSLP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
SMILES	CNCC(C1=CC(=C(C=C1)O)O)O
InChI Key	UCTWMZQNUQWSLP-UHFFFAOYSA-N
Molecular Formula	C9H13NO3
Exact Mass	183.090 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01112
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:23:35.765369
MetadataModified	2024-01-11T22:23:35.964588
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SAM002699891	NIH Clinical Collection
CHEMBL1740	ChEMBL
509	Guide to Pharmacology
537906	eMolecules
1141	Brenda
GR0L9S3J0F	FDA SRS
RACEPINEPHRINE	clinicaltrials
RACEPINEPHRINE HYDROCHLORIDE	clinicaltrials
RACEPINEPHRINE	rxnorm
RACEPINEPHRINE	DailyMed
84342	BindingDB
RACEPINEPHRINE HYDROCHLORIDE	rxnorm
4508	DrugCentral
CB2269997	ChemicalBook
J81.291I	Nikkaji
CB23358931	ChemicalBook
CB72673414	ChemicalBook
racepinephrine	DailyMed
HMDB0062515	Human Metabolome Database
124970	Brenda
93276	Brenda
108896	Brenda
3189	Brenda
MTBLC33568	Metabolights
dl-adrenaline	Selleck
14968368	PubChem: Thomson Pharma
PD003193	ProbesDrugs
51-43-4	ACToR
4866774	PubChem
329-65-7	ACToR
LSM-4958	LINCS
194548	ChEBI
MCULE-4868062157	Mcule
838	PubChem
SCHEMBL3815	SureChEMBL
20123563	NMRShiftDB
The data in this table is sourced from UniChem at EBI.