GNPS Library Spectrum CCMSLIB00000424793

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000424793
Compound NameVanillin
PINorberto Lopes
Data CollectorLucas Marques
Pubmed
CAS Number121-33-5
Original Submitter10mauriz
Most Recent Revisor10mauriz
Library QualityBronze Spectrum
SmilesO=CC1=CC(OC)=C(C=C1)O
InChIInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000424793
Precursor M/Z151.039
Exact Mass152.047
Charge-1
AdductM-H
Ion SourceDI-ESI
InstrumentqTof
Ion ModeNegative
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-0uy0-0900200200-4cbd13b45290ded181ee
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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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1CommentVanillinNorberto LopesM-HLucas Marques151.03910mauriz 2014-12-15 04:40:31.0

Spectrum ID Ratings