GNPS Library Spectrum CCMSLIB00003739950

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003739950
Compound NameMonensin sodium salt
PIBandow
Data CollectorSenges
Pubmed
CAS Number22373-78-0
Original Submittermice
Most Recent Revisormice
Library QualityBronze Spectrum
SmilesCCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)[O-])OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C.[Na+]
InChI1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00003739950
Precursor M/Z694.397
Exact Mass692.411
Charge0
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentMonensin sodium saltBandowM+HSenges694.397mice 2017-10-11 23:18:00.0

Spectrum ID Ratings