GNPS Library Spectrum CCMSLIB00005720335

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720335
Compound NameCYSTINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed67678
CAS Number 56-89-3
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N
InChI"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720335
Precursor M/Z241.032
Exact Mass240.024
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipPSU-MSMLS
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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1CommentCYSTINEAndrew D. Patterson[M+H]+Philip Smith241.032mpanitchpakdi676782020-04-10 13:26:10.0

Spectrum ID Ratings