GNPS Library Spectrum CCMSLIB00003136272

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003136272
Compound NameSpectral Match to 3-Hydroxyoctadecanoic Acid from NIST14
PIData from Katrina Waters;Yoshihiro Kawaoka;Richard Smith;Thomas Metz;Ralph Baric
Data CollectorData deposited by alchemistmatt
CAS Number17773307
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesCCCCCCCCCCCCCCCC(CC(=O)O)O
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIST14-MATCHES:accession:CCMSLIB00003136272
Precursor M/Z283.263
Exact Mass300.266
Charge1
AdductM+H-H2O
Ion SourceESI
InstrumentIon Trap
Ion ModePositive
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Library MembershipGNPS-NIST14-MATCHES
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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1CommentSpectral Match to 3-Hydroxyoctadecanoic Acid from NIST14Data from Katrina Waters;Yoshihiro Kawaoka;Richard Smith;Thomas Metz;Ralph BaricM+H-H2OData deposited by alchemistmatt283.263kimkami2N/A2021-03-20 20:44:38.0
2CommentSpectral Match to 3-Hydroxyoctadecanoic Acid from NIST14Data from Katrina Waters;Yoshihiro Kawaoka;Richard Smith;Thomas Metz;Ralph BaricM+H-H2OData deposited by alchemistmatt283.263mwang87N/A2017-07-18 13:00:55.0

Spectrum ID Ratings