GNPS Library Spectrum CCMSLIB00005463550

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005463550
Compound Name3-HYDROXYPHENYLACETATE
PIDorrestein
Data CollectorFernando Vargas
Pubmedna
CAS Number621-37-4
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesOC(=O)CC1=CC=CC(O)=C1
InChI"InChI=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-MSMLS:accession:CCMSLIB00005463550
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-MSMLS
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-HYDROXYPHENYLACETATEDorresteinM-HFernando Vargas151.04mpanitchpakdina2019-09-27 10:33:26.0

Spectrum ID Ratings