GNPS Library Spectrum CCMSLIB00000845023

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845023
Compound NameNCGC00385670-01!N-(10-hydroxy-10-methylundecyl)acetamide
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC(=O)NCCCCCCCCCC(C)(C)O
InChIInChI=1S/C14H29NO2/c1-13(16)15-12-10-8-6-4-5-7-9-11-14(2,3)17/h17H,4-12H2,1-3H3,(H,15,16)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845023
Precursor M/Z244.227
Exact Mass243.22
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00385670-01
N-(10-hydroxy-10-methylundecyl)acetamide
Jadhav/DorresteinM+Hlfnothias244.227mwang87n/a2017-01-30 15:16:07.0

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