GNPS Library Spectrum CCMSLIB00006675757

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006675757
Compound Name2_hydroxyphenyl_acetic_acid
PIUlaszewska
Data CollectorMarynka Ulaszewska
Pubmed11970.0
CAS Number614-75-5
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC=C(C(=C1)CC(=O)O)O
InChIInChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NUTRI-METAB-FEM-NEG:accession:CCMSLIB00006675757
Precursor M/Z325.069
Exact Mass152.047
Charge-1
Adduct2M-2H+Na
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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1Comment2_hydroxyphenyl_acetic_acidUlaszewska2M-2H+NaMarynka Ulaszewska325.069mpanitchpakdi11970.02021-07-09 09:18:59.0

Spectrum ID Ratings