GNPS Library Spectrum CCMSLIB00000424792

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000424792
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:CCMSLIB00000424792
Precursor M/Z153.054
Exact Mass152.047
Charge1
AdductM+H
Ion SourceDI-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-0udi-0900000000-334e2cf1c60f75229fd1
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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 Marques153.05410mauriz 2014-12-15 04:35:18.0

Spectrum ID Ratings