GNPS Library Spectrum CCMSLIB00006581652

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006581652
Compound NameN-benzoylglycine
PIMichael Witting
Data CollectorMichael Witting
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesOC(=O)CNC(=O)c1ccccc1
InChI"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SCIEX-LIBRARY:accession:CCMSLIB00006581652
Precursor M/Z180.066
Exact Mass179.058
Charge1
Adduct[M+H]+
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SCIEX-LIBRARY
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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1CommentN-benzoylglycineMichael Witting[M+H]+Michael Witting180.066mpanitchpakdiN/A2021-06-04 16:40:01.0

Spectrum ID Ratings