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212.11631774902344 0.0 212.11778259277344 0.0 END IONS BEGIN IONS TITLE=CCMSLIB00005464128 PEPMASS=189.12324 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=30.0 SOURCE_INSTRUMENT=ESI-Orbitrap FILENAME=48fb7e36593b44199c11e5b7f5962ec7/GNPS00005_H9_p.mzXML SEQ=*..* IONMODE=Positive ORGANISM=GNPS-MSMLS NAME=N-ALPHA-ACETYLLYSINE [M+H]+ PI=Dorrestein DATACOLLECTOR=Kelly Weldon SMILES=CC(=O)NC(CCCCN)C(O)=O INCHI=InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) INCHIAUX=VEYYWZRYIYDQJM-UHFFFAOYSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=1 SPECTRUMID=CCMSLIB00005464128 USI=mzspec:GNPS:GNPS-MSMLS:accession:CCMSLIB00005464128 SCANS=26 49.5027961730957 0.0 49.502960205078125 0.0 49.50312423706055 0.0 51.25355911254883 0.0 51.25373458862305 0.0 51.253910064697266 0.0 51.25460433959961 5367.05322265625 51.25529861450195 0.0 51.25547409057617 0.0 51.25564956665039 0.0 51.37611770629883 0.0 51.37628936767578 0.0 51.37646484375 0.0 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