GNPS Library Spectrum CCMSLIB00006675781

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006675781
Compound Name3_HydroxyPhenyl_AceticAcid
PIUlaszewska
Data CollectorMarynka Ulaszewska
Pubmed12122.0
CAS Number621-37-4
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC(=CC(=C1)O)CC(=O)O
InChIInChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)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:CCMSLIB00006675781
Precursor M/Z151.04
Exact Mass152.047
Charge-1
AdductM-H
Ion SourceESI
InstrumentOrbitrap
Ion ModeNegative
Provenance LCMS File ViewerView Provenance Full LCMS File
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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_HydroxyPhenyl_AceticAcidUlaszewskaM-HMarynka Ulaszewska151.04mpanitchpakdi12122.02021-07-09 09:18:59.0

Spectrum ID Ratings