GNPS Library Spectrum CCMSLIB00003140107

50
75
100
125
150
175
200
225
250
275
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 IDCCMSLIB00003140107
Compound NameSpectral Match to 3-Hydroxyoctadecanoic Acid from NIST14
PIData from Wolfender/Litaudon
Data CollectorData deposited by pmallard
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:CCMSLIB00003140107
Precursor M/Z283.26
Exact Mass300.266
Charge1
AdductM+H-H2O
Ion SourceESI
InstrumentqTof
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-NIST14-MATCHES
SPLASH Keynull-null-null-null
Update Annotation
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 ~ 2 out of 2     Go to   
CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentSpectral Match to 3-Hydroxyoctadecanoic Acid from NIST14Data from Wolfender/LitaudonM+H-H2OData deposited by pmallard283.26kimkami2N/A2021-03-20 15:17:39.0
2CommentSpectral Match to 3-Hydroxyoctadecanoic Acid from NIST14Data from Wolfender/LitaudonM+H-H2OData deposited by pmallard283.26mwang87N/A2017-07-18 13:04:22.0

Spectrum ID Ratings