GNPS Library Spectrum CCMSLIB00006675768

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006675768
Compound Name3_24_dihydroxyphenyl_propionic_acid
PIUlaszewska
Data CollectorMarynka Ulaszewska
Pubmed96384.0
CAS Number5631-68-5
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC(=C(C=C1O)O)CCC(=O)O
InChIInChI=1S/C9H10O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NUTRI-METAB-FEM-NEG:accession:CCMSLIB00006675768
Precursor M/Z181.051
Exact Mass182.058
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_24_dihydroxyphenyl_propionic_acidUlaszewskaM-HMarynka Ulaszewska181.051mpanitchpakdi96384.02021-07-09 09:18:59.0

Spectrum ID Ratings