Dataset

Hydrocinnamic acid

This MassBank record with Accession MSBNK-BS-BS003136 contains the MS mass spectrum of Hydrocinnamic acid with the InChIkey XMIIGOLPHOKFCH-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
SMILES	C1(=C(C(=C(C(=C1[H])[H])C(C(C(=O)O[H])([H])[H])([H])[H])[H])[H])[H]
InChI Key	XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula	C9H10O2
Exact Mass	150.068 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-BS-BS003136
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:38:20.335510
MetadataModified	2024-01-11T12:38:20.492182
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C05629	KEGG Ligand
DB02024	DrugBank
CHEMBL851	ChEMBL
28631	ChEBI
HCI	PDBe
480962	eMolecules
ZINC000000154564	ZINC
DTXSID2047064	EPA CompTox Dashboard
HY-Y1088	MedChemExpress
50304072	BindingDB
HMDB0000764	Human Metabolome Database
92788	Brenda
116408	Brenda
3439	Brenda
44237	Brenda
34832	Brenda
29508	Brenda
12555	Brenda
134369	Brenda
MTBLC28631	Metabolights
30591	Brenda
CB6230832	ChemicalBook
83912	Brenda
107	PubChem
PD008213	ProbesDrugs
5488	Brenda
15114489	PubChem: Thomson Pharma
501-52-0	ACToR
SCHEMBL3419	SureChEMBL
5Q445IN5CU	FDA SRS
MCULE-1670073750	Mcule
YASFIJ	CCDC
J2.601H	Nikkaji
20096530	NMRShiftDB
The data in this table is sourced from UniChem at EBI.