GNPS Library Spectrum CCMSLIB00003134487

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003134487
Compound NameSpectral Match to Phe-Leu from NIST14
PIData from Suryasarathi Dasgupta
Data CollectorData deposited by fevargas
CAS NumberN/A
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesCC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
InChIInChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIST14-MATCHES:accession:CCMSLIB00003134487
Precursor M/Z279.171
Exact Mass278.163
Charge1
AdductM+H
Ion SourceESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIST14-MATCHES
SPLASH Keynull-null-null-null
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Spectrum Tags

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

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 Phe-Leu from NIST14Data from Suryasarathi DasguptaM+HData deposited by fevargas279.171kimkami2N/A2021-03-19 20:48:41.0
2CommentSpectral Match to Phe-Leu from NIST14Data from Suryasarathi DasguptaM+HData deposited by fevargas279.171mwang87N/A2017-07-18 12:57:57.0

Spectrum ID Ratings