GNPS Library Spectrum CCMSLIB00005463568

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005463568
Compound NameCELLOBIOSE
PIDorrestein
Data CollectorFernando Vargas
Pubmedna
CAS Number528-50-7
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
InChI"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-MSMLS:accession:CCMSLIB00005463568
Precursor M/Z341.109
Exact Mass342.116
Charge-1
AdductM-H
Ion SourceESI
InstrumentOrbitrap
Ion ModeNegative
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Library MembershipGNPS-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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1CommentCELLOBIOSEDorresteinM-HFernando Vargas341.109mpanitchpakdina2019-09-27 10:33:26.0

Spectrum ID Ratings