GNPS Library Spectrum CCMSLIB00005720339

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720339
Compound NamePROLINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed145742
CAS Number 147-85-3
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1C[C@H](NC1)C(=O)O
InChI"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720339
Precursor M/Z116.071
Exact Mass115.063
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
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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1CommentPROLINEAndrew D. Patterson[M+H]+Philip Smith116.071mpanitchpakdi1457422020-04-10 13:26:10.0

Spectrum ID Ratings