GNPS Library Spectrum CCMSLIB00005720531

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720531
Compound Name4-HYDROXYBENZALDEHYDE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed126
CAS Number 123-08-0
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC(=CC=C1C=O)O
InChI"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720531
Precursor M/Z123.045
Exact Mass122.037
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipPSU-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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1Comment4-HYDROXYBENZALDEHYDEAndrew D. Patterson[M+H]+Philip Smith123.045mpanitchpakdi1262020-04-10 13:26:10.0

Spectrum ID Ratings