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Parameter list

MetFragDatabaseType=PubChem
PrecursorIonMode=1
DatabaseSearchRelativeMassDeviation=10.0
FragmentPeakMatchAbsoluteMassDeviation=0.001
FragmentPeakMatchRelativeMassDeviation=5.0
FilterExcludedElements=metfrag
FilterIncludedElements=metfrag
MetFragScoreTypes=FragmenterScore,OfflineMetFusionScore

pos_27_winter_Marpol_27_2.E.3_01_17272:1

Precursor Type: [M+H]+
Precursor Mass: 149.1351
Precursor Retention Time: 720.852

SpectrumStructureMonoisotopic MassMolecular FormulaCompound NamePubChem SynonymsCompound ClassesMetFrag ScoreMetFusion ScoreFragmenter ScoreSuspectlist ScoreExplained PeaksMetFrag WebExternal LinksInChI
 148.128572C8H20Sbutyl-ethyl-dimethyl-lambda4-sulfane 1.00.370.00.00 / 1MetFragWebPubChem, KEGG, HMDB, BioCyc, ChEBIInChI=1S/C8H20S/c1-5-7-8-9(3,4)6-2/h5-8H2,1-4H3
 148.128572C8H20Strimethyl(3-methylbutyl)-lambda4-sulfaneSCHEMBL17037255 0.9970.3690.00.00 / 1MetFragWebPubChem, KEGG, HMDB, BioCyc, ChEBIInChI=1S/C8H20S/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3