107 libraries · 2,701,012 MS/MS spectra · 208,697 unique 2D InChIKeys · last updated 2026-10-26
Every library synced into the knowledgebase. Download each one as MGF or JSON, or grab its slim per-spectrum metadata. The complete legacy set also lives at external.gnps2.org.
| Library | Source | Category | Description | Spectra | Downloads |
|---|---|---|---|---|---|
| CEMBIO_OXYLIPINS | GNPS2 | Standard | A library of Oxylipins | 75 | MGF · JSON · Slim metadata |
| GNPS-C23-BILE-ACIDS-MODIFICATIONS | GNPS2 | MassQL Derived | Library generated from repository-scale MassQL | 4,442 | MGF · JSON · Slim metadata |
| GNPS-C24-ALKAMINE-BILE-ACIDS-MODIFICATIONS | GNPS2 | MassQL Derived | Library generated from repository-scale MassQL | 257,490 | MGF · JSON · Slim metadata |
| GNPS-C24-BILE-ACIDS-MODIFICATIONS | GNPS2 | MassQL Derived | Library generated from repository-scale MassQL | 198,127 | MGF · JSON · Slim metadata |
| GNPS-C26-BILE-ACIDS-MODIFICATIONS | GNPS2 | MassQL Derived | Library generated from repository-scale MassQL | 4,185 | MGF · JSON · Slim metadata |
| GNPS-C27-BILE-ACIDS-MODIFICATIONS | GNPS2 | MassQL Derived | Library generated from repository-scale MassQL | 66,753 | MGF · JSON · Slim metadata |
| GNPS-C28-BILE-ALCOHOL-MODIFICATIONS | GNPS2 | MassQL Derived | Library generated from repository-scale MassQL | 109,143 | MGF · JSON · Slim metadata |
| GNPS2-PEG-MASSQL-PROPOGATED | GNPS2 | MassQL Derived | Candidate library of polyethylene glycol (PEG) and polyethylene glycol modifications. The library was created by detection of diagnostic oxonium ion series at m/z 89.0597, 133.0859, 177.1121, 221.1383, and 265.1645 at the repository scale. Of the 85,854 unique precursor m/z, 13,352 were confidently assigned to PEG chain lengths, with < 10 ppm error, corresponding to neutral molecular weights range from 265.164 to 1,488.9 Da. | 85,484 | MGF · JSON · Slim metadata |
| N-ACYL-DIPEPTIDES | GNPS2 | Multiplex Synthesis | Comprehensive positive-ion Orbitrap Exploris 120 MS/MS spectral library of synthetic N-acyl dipeptides generated by combinatorial synthesis and curated using replicate DDA and exclusion-list acquisitions. The deposited version contains 5,225 spectra that passed strict GNPS2 quality control. | 5,225 | MGF · JSON · Slim metadata |
| USER-CONTRIBUTED-GNPS2 | GNPS2 | Standard | 37 | MGF · JSON · Slim metadata | |
| 3-HYDROXY-ACYL-AMIDES-LIBRARY | GNPS | Standard | 3-HYDROXY-ACYL-AMIDES-LIBRARY | 726 | MGF · JSON · Slim metadata |
| AASDB | GNPS | Standard | AASDB | 96 | MGF · JSON · Slim metadata |
| BERKELEY-LAB | GNPS | Standard | BERKELEY-LAB | 24,992 | MGF · JSON · Slim metadata |
| BILELIB19 | GNPS | Standard | BILELIB19 | 4,953 | MGF · JSON · Slim metadata |
| CMMC-FOOD-BIOMARKERS | GNPS | Standard | CMMC-FOOD-BIOMARKERS | 652 | MGF · JSON · Slim metadata |
| DEREPLICATOR_IDENTIFIED_LIBRARY | GNPS | Standard | DEREPLICATOR_IDENTIFIED_LIBRARY | 379 | MGF · JSON · Slim metadata |
| DMIM-DRUG-METABOLITE-LIBRARY | GNPS | Standard | DMIM-DRUG-METABOLITE-LIBRARY | 6,565 | MGF · JSON · Slim metadata |
| ECG-ACYL-AMIDES-C4-C24-LIBRARY | GNPS | Standard | ECG-ACYL-AMIDES-C4-C24-LIBRARY | 3,144 | MGF · JSON · Slim metadata |
| ECG-ACYL-ESTERS-C4-C24-LIBRARY | GNPS | Standard | ECG-ACYL-ESTERS-C4-C24-LIBRARY | 495 | MGF · JSON · Slim metadata |
| ECRFS_DB | GNPS | Standard | ECRFS_DB GNPS1 reference library | 101 | MGF · JSON · Slim metadata |
| ELIXDB-LICHEN-DATABASE | GNPS | Standard | ELIXDB-LICHEN-DATABASE | 495 | MGF · JSON · Slim metadata |
| GNPS-ALKYLAMINES-BILE-ACIDS-LIBRARY | GNPS | Standard | GNPS-ALKYLAMINES-BILE-ACIDS-LIBRARY | 2,148 | MGF · JSON · Slim metadata |
| GNPS-ALKYLAMINES-LIBRARY | GNPS | Standard | GNPS-ALKYLAMINES-LIBRARY | 13,854 | MGF · JSON · Slim metadata |
| GNPS-BILE-ACID-MODIFICATIONS | GNPS | MassQL Derived | GNPS-BILE-ACID-MODIFICATIONS | 21,549 | MGF · JSON · Slim metadata |
| GNPS-CANDIDATE-CARNITINES-MASSQL | GNPS | MassQL Derived | GNPS-CANDIDATE-CARNITINES-MASSQL | 34,222 | MGF · JSON · Slim metadata |
| GNPS-COLLECTIONS-MISC | GNPS | Standard | GNPS-COLLECTIONS-MISC | 46 | MGF · JSON · Slim metadata |
| GNPS-COLLECTIONS-PESTICIDES-NEGATIVE | GNPS | Standard | GNPS-COLLECTIONS-PESTICIDES-NEGATIVE | 76 | MGF · JSON · Slim metadata |
| GNPS-COLLECTIONS-PESTICIDES-POSITIVE | GNPS | Standard | GNPS-COLLECTIONS-PESTICIDES-POSITIVE | 650 | MGF · JSON · Slim metadata |
| GNPS-CONJUGATED-METABOLOME-NEGATIVE | GNPS | Propagated | GNPS-CONJUGATED-METABOLOME-NEGATIVE | 32,688 | MGF · JSON · Slim metadata |
| GNPS-CONJUGATED-METABOLOME-POSITIVE-PARTITION-1 | GNPS | Propagated | GNPS-CONJUGATED-METABOLOME-POSITIVE-PARTITION-1 | 55,000 | MGF · JSON · Slim metadata |
| GNPS-CONJUGATED-METABOLOME-POSITIVE-PARTITION-2 | GNPS | Propagated | GNPS-CONJUGATED-METABOLOME-POSITIVE-PARTITION-2 | 55,000 | MGF · JSON · Slim metadata |
| GNPS-CONJUGATED-METABOLOME-POSITIVE-PARTITION-3 | GNPS | Propagated | GNPS-CONJUGATED-METABOLOME-POSITIVE-PARTITION-3 | 55,379 | MGF · JSON · Slim metadata |
| GNPS-D2-AMINO-LIPID-LIBRARY | GNPS | Standard | GNPS-D2-AMINO-LIPID-LIBRARY | 50 | MGF · JSON · Slim metadata |
| GNPS-DRUG-ANALOG | GNPS | Propagated | GNPS-DRUG-ANALOG | 13,932 | MGF · JSON · Slim metadata |
| GNPS-EMBL-MCF | GNPS | Standard | GNPS-EMBL-MCF | 498 | MGF · JSON · Slim metadata |
| GNPS-FAULKNERLEGACY | GNPS | Standard | GNPS-FAULKNERLEGACY | 126 | MGF · JSON · Slim metadata |
| GNPS-IIMN-PROPOGATED | GNPS | Propagated | GNPS-IIMN-PROPOGATED | 495 | MGF · JSON · Slim metadata |
| GNPS-IOBA-NHC | GNPS | Standard | GNPS-IOBA-NHC | 152 | MGF · JSON · Slim metadata |
| GNPS-ION-MOBILITY-LIBRARY | GNPS | Standard | GNPS-ION-MOBILITY-LIBRARY | 20,350 | MGF · JSON · Slim metadata |
| GNPS-ION-MOBILITY-LIBRARY-FILTERED | GNPS | Standard | GNPS-ION-MOBILITY-LIBRARY-FILTERED | 91 | MGF · JSON · Slim metadata |
| GNPS-LIBRARY | GNPS | Standard | GNPS-LIBRARY | 12,730 | MGF · JSON · Slim metadata |
| GNPS-MASSQL-BILE-ACID-ISOMER | GNPS | MassQL Derived | GNPS-MASSQL-BILE-ACID-ISOMER | 731 | MGF · JSON · Slim metadata |
| GNPS-MSMLS | GNPS | Standard | GNPS-MSMLS | 863 | MGF · JSON · Slim metadata |
| GNPS-N-ACYL-LIPIDS-MASSQL | GNPS | Standard | GNPS-N-ACYL-LIPIDS-MASSQL | 3,019 | MGF · JSON · Slim metadata |
| GNPS-NIH-CLINICALCOLLECTION1 | GNPS | Standard | GNPS-NIH-CLINICALCOLLECTION1 | 374 | MGF · JSON · Slim metadata |
| GNPS-NIH-CLINICALCOLLECTION2 | GNPS | Standard | GNPS-NIH-CLINICALCOLLECTION2 | 181 | MGF · JSON · Slim metadata |
| GNPS-NIH-NATURALPRODUCTSLIBRARY | GNPS | Standard | GNPS-NIH-NATURALPRODUCTSLIBRARY | 686 | MGF · JSON · Slim metadata |
| GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | GNPS | Standard | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE | 1,852 | MGF · JSON · Slim metadata |
| GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | GNPS | Standard | GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | 7,782 | MGF · JSON · Slim metadata |
| GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | GNPS | Standard | GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | 1,399 | MGF · JSON · Slim metadata |
| GNPS-NIST14-MATCHES | GNPS | Standard | GNPS-NIST14-MATCHES | 5,597 | MGF · JSON · Slim metadata |
| GNPS-NUTRI-METAB-FEM-NEG | GNPS | Standard | GNPS-NUTRI-METAB-FEM-NEG | 2,233 | MGF · JSON · Slim metadata |
| GNPS-NUTRI-METAB-FEM-POS | GNPS | Standard | GNPS-NUTRI-METAB-FEM-POS | 2,522 | MGF · JSON · Slim metadata |
| GNPS-REFRAME-DRUG-CCS-LIBRARY | GNPS | Standard | GNPS-REFRAME-DRUG-CCS-LIBRARY | 6,844 | MGF · JSON · Slim metadata |
| GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | GNPS | Standard | GNPS-SAM-SIK-KANG-LEGACY-LIBRARY | 318 | MGF · JSON · Slim metadata |
| GNPS-SCIEX-LIBRARY | GNPS | Standard | GNPS-SCIEX-LIBRARY | 288 | MGF · JSON · Slim metadata |
| GNPS-SELLECKCHEM-FDA-PART2 | GNPS | Standard | GNPS-SELLECKCHEM-FDA-PART2 | 593 | MGF · JSON · Slim metadata |
| GNPS-SUSPECTLIST | GNPS | Propagated | GNPS-SUSPECTLIST | 87,911 | MGF · JSON · Slim metadata |
| GNPS-SYNTHESIS-CARNITINES | GNPS | Multiplex Synthesis | GNPS-SYNTHESIS-CARNITINES | 1,003 | MGF · JSON · Slim metadata |
| GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY | GNPS | Standard | GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY | 133 | MGF · JSON · Slim metadata |
| HCE-CELL-LYSATE-LIPIDS | GNPS | Standard | HCE-CELL-LYSATE-LIPIDS | 81 | MGF · JSON · Slim metadata |
| IQAMDB | GNPS | Standard | IQAMDB | 317 | MGF · JSON · Slim metadata |
| LDB_NEGATIVE | GNPS | Standard | LDB_NEGATIVE | 577 | MGF · JSON · Slim metadata |
| LDB_POSITIVE | GNPS | Standard | LDB_POSITIVE | 457 | MGF · JSON · Slim metadata |
| LEAFBOT | GNPS | Standard | LEAFBOT | 779 | MGF · JSON · Slim metadata |
| MCE-DRUG | GNPS | Standard | MCE-DRUG | 20,955 | MGF · JSON · Slim metadata |
| MIADB | GNPS | Standard | MIADB | 401 | MGF · JSON · Slim metadata |
| MMV_NEGATIVE | GNPS | Standard | MMV_NEGATIVE | 47 | MGF · JSON · Slim metadata |
| MMV_POSITIVE | GNPS | Standard | MMV_POSITIVE | 110 | MGF · JSON · Slim metadata |
| MSNLIB-NEGATIVE | GNPS | Standard | MSNLIB-NEGATIVE | 142,024 | MGF · JSON · Slim metadata |
| MSNLIB-POSITIVE | GNPS | Standard | MSNLIB-POSITIVE | 205,755 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-1 | GNPS | Multiplex Synthesis | Multiplex synthesis library (all), partition 1 | 88,331 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-2 | GNPS | Multiplex Synthesis | Multiplex synthesis library (all), partition 2 | 88,333 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-3 | GNPS | Multiplex Synthesis | Multiplex synthesis library (all), partition 3 | 88,292 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-4 | GNPS | Multiplex Synthesis | Multiplex synthesis library (all), partition 4 | 88,331 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-5 | GNPS | Multiplex Synthesis | MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-5 | 88,330 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-6 | GNPS | Multiplex Synthesis | MULTIPLEX-SYNTHESIS-LIBRARY-ALL-PARTITION-6 | 50,714 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-1 | GNPS | Multiplex Synthesis | MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-1 | 84,792 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-2 | GNPS | Multiplex Synthesis | MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-2 | 84,782 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-3 | GNPS | Multiplex Synthesis | MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-3 | 84,792 | MGF · JSON · Slim metadata |
| MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-4 | GNPS | Multiplex Synthesis | MULTIPLEX-SYNTHESIS-LIBRARY-FILTERED-PARTITION-4 | 16,525 | MGF · JSON · Slim metadata |
| NEO-MSMS | GNPS | Standard | NEO-MSMS | 472 | MGF · JSON · Slim metadata |
| PHENOLICSDB | GNPS | Standard | PHENOLICSDB | 293 | MGF · JSON · Slim metadata |
| PNNL-LIPIDS-NEGATIVE | GNPS | Standard | PNNL-LIPIDS-NEGATIVE | 16,142 | MGF · JSON · Slim metadata |
| PNNL-LIPIDS-POSITIVE | GNPS | Standard | PNNL-LIPIDS-POSITIVE | 30,574 | MGF · JSON · Slim metadata |
| PSU-MSMLS | GNPS | Standard | PSU-MSMLS | 574 | MGF · JSON · Slim metadata |
| PYRROLIZIDINE-ALKALOID-SPECTRAL-LIBRARY | GNPS | Standard | PYRROLIZIDINE-ALKALOID-SPECTRAL-LIBRARY | 164 | MGF · JSON · Slim metadata |
| REFRAME-NEGATIVE-LIBRARY | GNPS | Propagated | REFRAME-NEGATIVE-LIBRARY | 3,678 | MGF · JSON · Slim metadata |
| REFRAME-POSITIVE-LIBRARY | GNPS | Propagated | REFRAME-POSITIVE-LIBRARY | 9,617 | MGF · JSON · Slim metadata |
| TUEBINGEN-NATURAL-PRODUCT-COLLECTION | GNPS | Standard | TUEBINGEN-NATURAL-PRODUCT-COLLECTION | 941 | MGF · JSON · Slim metadata |
| UM-NPDC | GNPS | Standard | UM-NPDC | 63 | MGF · JSON · Slim metadata |
| WFSR-LIBRARY | GNPS | Standard | WFSR-LIBRARY | 6,941 | MGF · JSON · Slim metadata |
| WINE-DB-ORBITRAP | GNPS | Standard | WINE-DB-ORBITRAP | 337 | MGF · JSON · Slim metadata |
| WINE-DB-QTOF | GNPS | Standard | WINE-DB-QTOF | 1,155 | MGF · JSON · Slim metadata |
| XANTHONES-DB | GNPS | Standard | XANTHONES-DB | 104 | MGF · JSON · Slim metadata |
| BIRMINGHAM-UHPLC-MS-NEG | Import | Standard | BIRMINGHAM-UHPLC-MS-NEG | 7,198 | MGF · JSON · Slim metadata |
| BIRMINGHAM-UHPLC-MS-POS | Import | Standard | BIRMINGHAM-UHPLC-MS-POS | 7,040 | MGF · JSON · Slim metadata |
| BMDMS-NP | Import | Standard | BMDMS-NP | 162,764 | MGF · JSON · Slim metadata |
| CASMI | Import | Standard | CASMI | 527 | MGF · JSON · Slim metadata |
| GNPS-LIPID-MAPS-PARTIAL-SPECTRA-DB | Import | Propagated | A curated LIPID MAPS collection of spectra from lipids with partial structural annotation, generated by multiple laboratories. | 404 | MGF · JSON · Slim metadata |
| GNPS-LIPID-MAPS-STANDARDS-SPECTRA-DB | Import | Standard | A curated LIPID MAPS collection of high-quality reference spectra from lipidomics research laboratories. | 1,638 | MGF · JSON · Slim metadata |
| HMDB | Import | Standard | HMDB | 2,016 | MGF · JSON · Slim metadata |
| MASSBANK | Import | Standard | MASSBANK | 47,779 | MGF · JSON · Slim metadata |
| MASSBANKEU | Import | Standard | MASSBANKEU | 1,350 | MGF · JSON · Slim metadata |
| MONA | Import | Standard | MONA | 45,783 | MGF · JSON · Slim metadata |
| RESPECT | Import | Standard | RESPECT | 1,223 | MGF · JSON · Slim metadata |
| SUMNER | Import | Standard | SUMNER | 586 | MGF · JSON · Slim metadata |