GNPS Library Spectrum CCMSLIB00006581646

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006581646
Compound Nametetradecanoic acid
PIMichael Witting
Data CollectorMichael Witting
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCCCCCCCCCCCCCC(O)=O
InChI"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SCIEX-LIBRARY:accession:CCMSLIB00006581646
Precursor M/Z229.216
Exact Mass228.209
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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1Commenttetradecanoic acidMichael Witting[M+H]+Michael Witting229.216mpanitchpakdiN/A2021-06-04 16:40:01.0

Spectrum ID Ratings