GNPS Library Spectrum CCMSLIB00006675777

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006675777
Compound Name3_4_MethoxyPhenyl_propionicAcid
PIUlaszewska
Data CollectorMarynka Ulaszewska
Pubmed95750.0
CAS Number1929-29-9
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCOC1=CC=C(C=C1)CCC(=O)O
InChIInChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NUTRI-METAB-FEM-NEG:accession:CCMSLIB00006675777
Precursor M/Z179.071
Exact Mass180.079
Charge-1
AdductM-H
Ion SourceESI
InstrumentOrbitrap
Ion ModeNegative
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Library MembershipGNPS-NUTRI-METAB-FEM-NEG
SPLASH Keynull-null-null-null
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment3_4_MethoxyPhenyl_propionicAcidUlaszewskaM-HMarynka Ulaszewska179.071mpanitchpakdi95750.02021-07-09 09:18:59.0

Spectrum ID Ratings