GNPS Library Spectrum CCMSLIB00005720333

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720333
Compound NameOROTATE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed967
CAS Number 65-86-1
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=C(NC(=O)NC1=O)C(=O)O
InChI"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720333
Precursor M/Z157.025
Exact Mass156.017
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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1CommentOROTATEAndrew D. Patterson[M+H]+Philip Smith157.025mpanitchpakdi9672020-04-10 13:26:10.0

Spectrum ID Ratings