Dataset

ORTHO METHYL ACETOPHENONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000197 contains the MS mass spectrum of ORTHO METHYL ACETOPHENONE with the InChIkey YXWWHNCQZBVZPV-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
SMILES	CC(=O)c(c1)c(C)ccc1
InChI Key	YXWWHNCQZBVZPV-UHFFFAOYSA-N
Molecular Formula	C9H10O
Exact Mass	134.073 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-JP000197
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:39.368582
MetadataModified	2024-01-11T15:56:39.528432
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11340	PubChem
14940556	PubChem: Thomson Pharma
SCHEMBL112406	SureChEMBL
1321-47-7	ACToR
527598	eMolecules
23O5EV975S	FDA SRS
PD158297	ProbesDrugs
577-16-2	ACToR
221138	Brenda
MTBLC145958	Metabolights
145958	ChEBI
HY-W012658	MedChemExpress
HMDB0032386	Human Metabolome Database
MCULE-1749200131	Mcule
20097553	NMRShiftDB
J45.639J	Nikkaji
CB9414363	ChemicalBook
DTXSID60862222	EPA CompTox Dashboard
ZINC000001736725	ZINC
The data in this table is sourced from UniChem at EBI.