Dereplication reference  /  microbial natural products  /  HT MS/MS

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1251 antibacterial and cytotoxic natural products of bacterial or fungal origin — formulas, monoisotopic masses and adduct m/z, producing organism, target, and the congener families each one travels with. Weighted for extract-level exclusion: congener series are enumerated rather than represented by one flagship member, and it carries what actually crowds a real chromatogram — 190 entries of laboratory background and microbial housekeeping metabolite alongside the antibiotics themselves. Semi-synthetic and fully synthetic derivatives are excluded.

177Gram-neg / broad
577Cytotoxic
629Anti-Klebsiella
190Known background
171Isobaric at MS1
114With fragment data
780Background ions
1251Total entries

Run the full databases first — then use this list to triage what they return

No hand-curated list can be exhaustive: the described microbial natural product space is roughly 37,000 compounds, and this is a deliberately opinionated 1251 of them. Match your features against the databases below for coverage; use this page for the judgement call the databases can't make — whether a match is a plausible true hit, a known nuisance chemotype, or one member of a congener family whose other members are also sitting in your data.

Natural Products Atlas 3.0

~36,500 microbially derived NPs with formulas, exact masses and producing taxa. Free bulk download (CC BY-NC from release 2024_09). The single best MS1 mass-matching resource for this problem.

GNPS / GNPS2

Experimental MS/MS reference spectra plus molecular networking. Library search gives real spectral matches, not just mass matches, and networking clusters your unknowns with annotated congeners.

MIBiG + antiSMASH

Biosynthetic gene clusters. If you have producer genomes, cluster-to-compound matching rules out known chemistry before you ever run the spectrometer.

COCONUT / LOTUS

Aggregated open NP collections (~700k structures) for a final, broad sweep once the microbial-specific resources come back empty.

Compound Formula Monoisotopic [M+H]+ [M+2H]2+ Activity Producing organism Kleb.
K. pneumoniae activity reported Genus/family-level activity — verify Not expected Click any row for target, congener notes and all adducts.

Repeating units — ladder spacings

Adducts, losses & replacements