GNPS Library Spectrum CCMSLIB00000425033

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000425033
Compound NameHMDB:HMDB00258-449 Sucrose
PIHMDB
Data CollectorHMDB
CAS Number57-50-1
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesOC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:HMDB:accession:CCMSLIB00000425033
Precursor M/Z343.124
Exact Mass342.116
Charge1
AdductM+H
Ion SourcePositive
InstrumentQuattro_QQQ:25eV
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipHMDB
SPLASH Keysplash10-002r-9600000000-bf4df12e3ec24b4de57b
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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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1CommentHMDB:HMDB00258-449 SucroseHMDBM+HHMDB343.124mwang87N/A2015-02-20 17:07:30.0

Spectrum ID Ratings