GNPS Library Spectrum CCMSLIB00000425034

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000425034
Compound NameHMDB:HMDB00032-52 7-Dehydrocholesterol
PIHMDB
Data CollectorHMDB
CAS Number434-16-2
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
Smiles[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@]12C
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:HMDB:accession:CCMSLIB00000425034
Precursor M/Z385.347
Exact Mass384.339
Charge1
AdductM+H
Ion SourcePositive
InstrumentQuattro_QQQ:25eV
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipHMDB
SPLASH Keysplash10-05oa-4942000000-dbfe3e996983256b1e0c
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentHMDB:HMDB00032-52 7-DehydrocholesterolHMDBM+HHMDB385.347mwang87N/A2015-02-20 17:07:30.0

Spectrum ID Ratings