Dataset

3-PHENYLPROPIONONITRILE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000922 contains the MS mass spectrum of 3-PHENYLPROPIONONITRILE with the InChIkey ACRWYXSKEHUQDB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
SMILES	N#CCCc(c1)cccc1
InChI Key	ACRWYXSKEHUQDB-UHFFFAOYSA-N
Molecular Formula	C9H9N
Exact Mass	131.073 g/mol

Data and Resources

3-PHENYLPROPIONONITRILEHTML
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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-JP000922
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:54:46.283598
MetadataModified	2024-01-11T15:54:46.450818
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
121828	Brenda
85426	Rhea
133692	Brenda
69562	Brenda
ZINC000001747831	ZINC
163997	Brenda
HMDB0034236	Human Metabolome Database
DTXSID4060949	EPA CompTox Dashboard
CB1733015	ChemicalBook
260177	Brenda
645-59-0	ACToR
H2Y1JYN13Q	FDA SRS
15412835	PubChem: Thomson Pharma
485135	eMolecules
128572	Brenda
5779	Brenda
11913	Brenda
10516	Brenda
J45.903H	Nikkaji
PIWBAC	CCDC
85426	ChEBI
10018790	NMRShiftDB
SCHEMBL181108	SureChEMBL
MCULE-1379217564	Mcule
12581	PubChem
The data in this table is sourced from UniChem at EBI.