Dataset

HOMOVERATRILAMINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002931 contains the MS mass spectrum of HOMOVERATRILAMINE with the InChIkey ANOUKFYBOAKOIR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
SMILES	NCCc(c1)cc(OC)c(OC)c1
InChI Key	ANOUKFYBOAKOIR-UHFFFAOYSA-N
Molecular Formula	C10H15NO2
Exact Mass	181.110 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002931
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:37.091775
MetadataModified	2024-01-11T15:55:37.261513
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL26019	ChEMBL
SAM001246869	NIH Clinical Collection
136995	ChEBI
518583	eMolecules
IQF9T435OP	FDA SRS
LSM-5691	LINCS
15195188	PubChem: Thomson Pharma
PD002977	ProbesDrugs
SCHEMBL210639	SureChEMBL
120-20-7	ACToR
J28.381I	Nikkaji
20096534	NMRShiftDB
8421	PubChem
MCULE-5517861565	Mcule
HY-Y0935	MedChemExpress
ZINC000000388739	ZINC
CB4294076	ChemicalBook
HMDB0041806	Human Metabolome Database
125692	Brenda
122955	Brenda
MTBLC136995	Metabolights
DTXSID8059506	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.