GNPS Library Spectrum CCMSLIB00009966360

50
100
150
200
250
300
350
400
0%
10%
20%
30%
40%
50%
60%
70%
80%
90%
100%
Click and drag in the plot to zoom X:  Y:        Enable tooltip Plot mass error
Latest Library Spectrum Information
Spectrum IDCCMSLIB00009966360
Compound NameSuspect related to N-Dodecanoyl-DL-homoserine lactone (predicted molecular formula: unknown) with delta m/z 14.051 (putative explanation: Asn->Lys substitution; atomic difference: 2C,6H,-1O)
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
SmilesN/A
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18) + 14.051 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00009966360
Precursor M/Z197.154
Exact Mass0.0
Charge0
Adduct[183.1]
Ion SourceESI
InstrumentIon Trap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipPRIVATE-USER
SPLASH Keynull-null-null-null
Add Spectrum Tag

Spectrum Tags

Datasets ID
Hits 1 ~ 0 out of 0     Go to   
TypeDescriptionDatabaseURLURLRemove Tag
checked only

Spectrum Annotation History

Spectrum Annotations and Comments
Hits 1 ~ 1 out of 1     Go to   
CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentSuspect related to N-Dodecanoyl-DL-homoserine lactone (predicted molecular formula: unknown) with delta m/z 14.051 (putative explanation: Asn->Lys substitution; atomic difference: 2C,6H,-1O)Pieter Dorrestein[183.1]Wout Bittremieux197.154mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings