Mercurial > repos > recetox > matchms_remove_spectra
changeset 3:d50ce2f51fc0 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 129488bfd91735fc55fe32edb1079c24eee7b2d3
| author | recetox |
|---|---|
| date | Thu, 14 Nov 2024 15:07:02 +0000 |
| parents | fbe335d27d25 |
| children | |
| files | test-data/skyline/mgf_out.tabular test-data/skyline/reduce_to_top_n_peaks.tabular |
| diffstat | 2 files changed, 3175 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/skyline/mgf_out.tabular Thu Nov 14 15:07:02 2024 +0000 @@ -0,0 +1,3149 @@ +compound_name mz intensity inchikey formula +Acephate 90.09368 1128.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 93.11512 1241.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 95.10279 1118.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 101.31465 1152.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 102.90688 1322.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 103.98039 1201.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 112.01607 12289.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 112.99994 38027.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 115.00399 1634.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 124.98121 922.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 128.97701 9208.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 132.57193 1350.0 YASYVMFAVPKPKE-SECBINFHSA-N C4H10NO3PS +Acephate 135.84808 1428.0 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C18H12N2OCl2 +Boscalid 271.08762 5868577.0 WYEMLYFITZORAB-UHFFFAOYSA-N C18H12N2OCl2 +Boscalid 272.09424 5476461.0 WYEMLYFITZORAB-UHFFFAOYSA-N C18H12N2OCl2 +Boscalid 279.0686 68522.0 WYEMLYFITZORAB-UHFFFAOYSA-N C18H12N2OCl2 +Boscalid 289.05276 1245064.0 WYEMLYFITZORAB-UHFFFAOYSA-N C18H12N2OCl2 +Boscalid 305.04871 107573.0 WYEMLYFITZORAB-UHFFFAOYSA-N C18H12N2OCl2 +Boscalid 306.05643 72921.0 WYEMLYFITZORAB-UHFFFAOYSA-N C18H12N2OCl2 +Boscalid 307.06335 2958245.0 WYEMLYFITZORAB-UHFFFAOYSA-N C18H12N2OCl2 +Carbetamide 85.07622 86855.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 100.07591 86451.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 118.08654 1614784.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 120.04464 757563.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 126.01047 99599.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 138.05496 54640.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 144.06567 88684.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 164.0705 45687.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 192.0659 2143350.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 237.07993 102575.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 237.09068 314588.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carbetamide 237.12401 187935.0 AMRQXHFXNZFDCH-VIFPVBQESA-N C12H16N2O3 +Carfentrazone ethyl 87.03558 102938.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 92.03108 108928.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 140.99028 93612.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 168.00159 290200.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 168.98535 256214.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 169.00954 280404.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 169.99326 139258.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 176.0387 59605.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 176.96758 2472383.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 183.0123 267100.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 183.99632 81664.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 186.01216 91455.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 194.98845 136592.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 195.99637 326492.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 197.00471 52605.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 201.9623 154634.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 203.97847 447264.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 204.96245 1832179.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 206.02895 92544.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 207.03662 171674.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 209.02803 384802.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 209.99982 113563.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 211.00719 472507.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 212.01517 66934.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 213.00288 312895.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 214.01096 51013.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 215.02534 55407.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 220.9915 95557.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 221.97609 58129.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 222.00006 181469.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 223.00748 74723.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 223.9912 1241221.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 226.03568 99992.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 227.98999 56867.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 228.9734 154659.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 228.99759 849754.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 229.9576 291454.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 230.96507 364210.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 231.97353 309882.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 232.98094 634253.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 233.00957 190835.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 233.99303 64478.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 236.01566 50291.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 239.00291 79639.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 240.99757 4112806.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 242.00581 1279056.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 246.98367 100821.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 248.98016 83634.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 248.9865 48588.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 249.9944 112801.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 251.02658 84213.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 252.03403 720952.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 256.96869 464576.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 257.95212 120792.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 258.96021 600062.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 261.00433 486923.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 268.00449 56951.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 268.99277 70677.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 270.00082 107703.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 270.98462 439596.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 274.97897 367619.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 276.97476 4577284.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 280.02945 127558.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 282.0246 396042.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 284.96323 117220.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 288.01102 1894072.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 290.03122 319337.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 298.97946 85527.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 302.03137 2921622.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 303.0383 181158.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 316.00662 372285.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 318.00153 484008.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 320.04153 58056.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 338.00775 410316.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Carfentrazone ethyl 345.99677 2618042.0 MLKCGVHIFJBRCD-JTQLQIEISA-N C15H14N3O3Cl2F3 +Chlorantraniliprole 283.92297 5735542.0 PSOVNZZNOMJUBI-UHFFFAOYSA-N C18H14N5O2BrCl2 +Chlorantraniliprole 450.93774 4907420.0 PSOVNZZNOMJUBI-UHFFFAOYSA-N C18H14N5O2BrCl2 +Chlorantraniliprole 463.96796 71876.0 PSOVNZZNOMJUBI-UHFFFAOYSA-N C18H14N5O2BrCl2 +Chlorantraniliprole 481.97949 1501231.0 PSOVNZZNOMJUBI-UHFFFAOYSA-N C18H14N5O2BrCl2 +Clofentezine 92.0498 44376.0 UXADOQPNKNTIHB-UHFFFAOYSA-N C14H8N4Cl2 +Clofentezine 102.03414 382179.0 UXADOQPNKNTIHB-UHFFFAOYSA-N C14H8N4Cl2 +Clofentezine 120.04463 495630.0 UXADOQPNKNTIHB-UHFFFAOYSA-N C14H8N4Cl2 +Clofentezine 130.04021 2783936.0 UXADOQPNKNTIHB-UHFFFAOYSA-N C14H8N4Cl2 +Clofentezine 138.01057 2494447.0 UXADOQPNKNTIHB-UHFFFAOYSA-N C14H8N4Cl2 +Cyprodinil 89.03882 250501.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 91.05441 2917894.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 92.0498 1832571.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 92.06236 327913.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 93.0575 7935048.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 94.06544 551055.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 95.04928 1106686.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 104.04984 578815.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 105.04505 751939.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 106.06546 3348979.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 107.07314 366893.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 108.06842 996581.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 108.08108 5293585.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 109.0761 435067.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 110.06014 373109.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 115.0543 340655.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 116.0497 1136768.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 117.0574 936588.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 118.05279 3491518.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 118.06519 1243941.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 119.06059 3591314.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 123.09197 364628.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 124.07606 563904.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 130.06528 192669.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 131.06062 1377516.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 132.06825 1932161.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 133.07642 3211678.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 134.06033 753709.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 142.06525 584454.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 143.06068 1778669.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 143.07307 279220.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 144.05594 191195.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 144.08099 2104332.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 145.07616 882365.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 149.07127 251299.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 156.06825 169085.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 157.0762 329957.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 158.0838 181590.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 159.09198 963940.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 165.06998 303199.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 167.06058 287846.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 167.07332 1087973.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 168.06824 523675.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 168.08109 896186.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 169.07619 575896.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 170.0843 204211.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 171.09184 238779.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 181.07629 410526.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 182.08427 540213.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 182.09682 243307.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 183.07944 619682.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 183.09206 583441.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 184.08746 1461784.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 185.10789 904319.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 191.07323 180652.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 193.07642 1237200.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 194.08405 2240403.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 196.08698 270421.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 197.09528 430359.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 198.10313 664506.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 199.11044 212040.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 207.0918 1191559.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 208.10004 666594.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 209.10754 1644491.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 210.10275 4134248.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 211.11086 699261.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 224.1181 912227.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyprodinil 226.13422 16374867.0 HAORKNGNJCEJBX-UHFFFAOYSA-N C14H15N3 +Cyromazine_1 85.05116 569181.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 108.05576 364390.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 110.0462 49797.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 125.08251 178192.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 127.07288 24861.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 139.07271 33973.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 150.0777 7345.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 151.07292 35146.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_1 167.10403 54669.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 85.05095 323769.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 100.08693 5287.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 108.05576 223896.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 110.0462 30873.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 112.06189 4105.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 125.08213 95867.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 127.07288 11228.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 139.07271 22781.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 150.0777 3986.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 151.07292 16833.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 155.01868 3272.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Cyromazine_2 167.10403 33800.0 LVQDKIWDGQRHTE-UHFFFAOYSA-N C6H10N6 +Dimoxystrobin 89.03882 267042.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 91.05465 1177860.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 92.05786 587003.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 106.06546 63219.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 116.0497 4287725.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 117.0574 207058.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 118.06553 62777.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 121.06523 72575.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 121.08883 992075.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 122.09238 613096.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 134.06033 559976.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 135.08092 79495.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 148.07639 58182.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 148.11266 1671042.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 149.10986 53924.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 149.11572 1649040.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 178.0778 129475.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 180.08119 207313.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 193.10162 104706.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 194.09711 110382.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 195.10469 223024.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 221.09647 105352.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 222.09152 46935.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 222.10396 66419.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Dimoxystrobin 223.09956 719508.0 WXUZAHCNPWONDH-UHFFFAOYSA-N C19H22N2O3 +Fenazaquin 91.05441 199112.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 103.05439 73599.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 104.04984 64148.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 105.0702 917430.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 117.06997 181158.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 119.0857 712865.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 121.10135 76811.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 130.02905 143777.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 131.08598 2116571.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 133.10155 485868.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 145.10149 85536.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 146.10915 4833104.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 147.05551 4215618.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenazaquin 161.13255 3701806.0 DMYHGDXADUDKCQ-UHFFFAOYSA-N C20H22N2O +Fenhexamid 95.01299 111399.0 VDLGAVXLJYLFDH-UHFFFAOYSA-N C14H17NO2Cl2 +Fenhexamid 97.10134 4001007.0 VDLGAVXLJYLFDH-UHFFFAOYSA-N C14H17NO2Cl2 +Fenhexamid 142.00574 470488.0 VDLGAVXLJYLFDH-UHFFFAOYSA-N C14H17NO2Cl2 +Fenhexamid 143.0134 1124724.0 VDLGAVXLJYLFDH-UHFFFAOYSA-N C14H17NO2Cl2 +Fenhexamid 177.98218 162637.0 VDLGAVXLJYLFDH-UHFFFAOYSA-N C14H17NO2Cl2 +Fenhexamid 302.0708 49250.0 VDLGAVXLJYLFDH-UHFFFAOYSA-N C14H17NO2Cl2 +Fenpyroximate 91.04206 117996.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 91.05465 106024.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 92.0498 87696.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 93.05774 260654.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 94.04169 108699.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 95.04953 62385.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 95.06073 350683.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 96.06861 923552.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 104.04984 232471.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 106.06546 218843.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 107.02439 77423.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 107.04966 430579.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 109.04004 148437.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 110.0716 266167.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 111.05566 267693.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 112.06348 143921.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 113.07121 165810.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 117.05774 475621.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 118.06553 207059.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 121.0638 98676.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 121.07632 211577.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 122.07175 1015735.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 123.05569 588803.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 124.05084 136544.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 129.05762 234973.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 130.06567 646047.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 131.06102 64470.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 131.07352 162979.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 132.04504 124496.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 132.06866 204911.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 135.04469 1656891.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 136.05099 82782.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 137.05911 95506.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 138.06671 5569473.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 139.0507 103856.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 141.05769 86459.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 142.05298 63910.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 142.0657 196862.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 143.06068 233150.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 143.07355 214610.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 144.0448 925002.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 144.06847 64229.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 144.08099 258802.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 145.0527 116335.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 145.06537 86828.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 145.07661 796518.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 146.06033 143788.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 146.08401 227348.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 155.04976 327910.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 155.06065 279544.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 156.06877 75745.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 157.05295 67758.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 157.0614 631707.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 157.0762 440265.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 158.06033 63862.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 158.08434 1135306.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 159.06828 1092296.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 159.09198 191557.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 160.07613 68662.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 169.07677 248853.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 170.06049 475510.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 170.0843 65958.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 171.05582 124587.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 171.09184 186652.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 172.07626 63322.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 172.08717 90299.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 173.07166 613565.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 174.07939 186701.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 174.10281 124566.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 183.0555 60224.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 185.0714 282332.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 186.05576 83272.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 186.10275 837404.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 187.08711 307005.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 187.11115 179545.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 188.08208 68182.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 188.09454 56664.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 189.10245 172485.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 197.0715 161124.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 198.07919 265419.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 199.07426 148687.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 199.08707 368116.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 200.08215 638373.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 201.10309 239504.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 202.09793 790032.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 214.09836 4878472.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 215.10576 1548726.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 230.09335 285190.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 231.10078 772223.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Fenpyroximate 366.14682 271014.0 YYJNOYZRYGDPNH-UHFFFAOYSA-N C24H27N3O4 +Flonicamid 98.04052 1513015.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 101.01998 130358.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 126.03515 270418.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 128.0309 1130827.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 129.03873 894240.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 134.04785 187862.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 135.03584 106359.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 136.04333 85854.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 140.03102 72212.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 144.02579 576288.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 146.02148 1739781.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 147.02966 723489.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 148.03722 5717933.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 153.04604 178370.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 155.04199 750642.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 156.02586 62411.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 164.03217 431199.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 174.01654 1374723.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 175.0481 152887.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 176.0318 1685318.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 183.0369 1014810.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Flonicamid 203.04269 761411.0 RLQJEEJISHYWON-UHFFFAOYSA-N C9H6N3OF3 +Fluoxastrobin 90.03426 262008.0 UFEODZBUAFNAEU-UHFFFAOYSA-N C21H16N4O5ClF +Fluoxastrobin 93.0339 81235.0 UFEODZBUAFNAEU-UHFFFAOYSA-N C21H16N4O5ClF +Fluoxastrobin 95.04953 126363.0 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124586.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 238.04195 729158.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 240.05751 690775.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 241.04176 517674.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 241.06586 115853.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 242.08463 143951.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 243.09258 198185.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 250.04214 378960.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 251.0031 434485.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 251.02657 76166.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 251.05006 585923.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 252.03401 1565574.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 259.00827 2379846.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 259.08661 47950.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 266.03717 318342.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 267.04504 216878.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 267.06848 215642.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 268.05276 3869425.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 276.03445 91579.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 277.0527 143152.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 278.06161 515869.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenarimol 279.06857 114232.0 NHOWDZOIZKMVAI-KRWDZBQOSA-N C17H12N2OCl2 +Fenbuconazole 89.03882 491858.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 91.05441 1708709.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 103.05439 763259.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 125.01532 31583906.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 128.062 614101.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 129.07021 1018109.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 139.0309 716816.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 155.06064 335216.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fenbuconazole 163.0309 736285.0 RQDJADAKIFFEKQ-IBGZPJMESA-N C19H17N4Cl +Fluquinconazole 108.02471 848273.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 123.99523 983397.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 126.03514 85852.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 158.97679 294325.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 163.03033 1264696.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 181.04097 120423.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 195.05714 105799.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 243.01224 134077.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 244.01985 783328.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 251.97818 94741.0 IJJVMEJXYNJXOJ-UHFFFAOYSA-N C16H8N5OCl2F +Fluquinconazole 272.01474 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BQYJATMQXGBDHF-UHFFFAOYSA-N C19H17N3O3Cl2 +Difenoconazole 251.0031 32513990.0 BQYJATMQXGBDHF-UHFFFAOYSA-N C19H17N3O3Cl2 +Difenoconazole 264.98291 3756956.0 BQYJATMQXGBDHF-UHFFFAOYSA-N C19H17N3O3Cl2 +Diniconazole 87.0807 115189.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 110.0716 52760.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 123.00002 65949.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 136.00755 116731.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 137.01562 125799.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 141.07028 87788.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 143.08594 53581.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 145.0649 52799.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 148.08749 54447.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 150.02344 61653.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 153.07042 57255.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 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FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 180.03384 98155.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 182.07175 55824.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 182.97643 126111.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 184.99236 46623.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 185.98766 43685.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 189.0215 81465.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 189.04662 463062.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 190.02985 105876.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 191.02502 124599.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 193.04185 237565.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 196.99208 133380.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 203.03725 47288.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Diniconazole 203.06287 40626.0 FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 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FBOUIAKEJMZPQG-CQSZACIVSA-N C15H17N3OCl2 +Epoxiconazole 91.05464 783917.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 101.03878 454726.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 113.01572 623551.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 113.04023 604178.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 119.04978 1591248.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 121.04307 362239.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 121.04521 27069946.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 123.02455 5942544.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 123.03517 2030362.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 129.04501 7068444.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 138.99483 468356.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Epoxiconazole 141.01048 1219612.0 ZMYFCFLJBGAQRS-IAGOWNOFSA-N C17H13N3OClF +Etaconazole 122.99965 480348.0 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1008744.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 98.06031 16588468.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 105.07019 215544.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 107.07314 1858556.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 109.0761 345145.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 110.06044 242964.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 110.0716 341679.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 110.09671 170712.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 111.07922 353713.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 112.11221 261603.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 114.06642 269861.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 120.081 391118.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 122.07138 761007.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 122.08405 230087.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O +Ethirimol 122.09672 693029.0 BBXXLROWFHWFQY-UHFFFAOYSA-N C11H19N3O 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C14H17N3OCl2 +Hexaconazole 188.98734 151249.0 STMIIPIFODONDC-AWEZNQCLSA-N C14H17N3OCl2 +Ipconazole 89.03882 79221.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 95.08585 152078.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 109.10148 351087.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 115.05463 110112.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 116.06245 125067.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 125.01532 7756546.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 128.06239 168573.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 130.078 83461.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 139.03134 219182.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 142.07797 176298.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 149.01559 120448.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 151.03107 544953.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N C18H24N3OCl +Ipconazole 155.06064 99629.0 QTYCMDBMOLSEAM-UHFFFAOYSA-N 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C17H22N3OCl +Metconazole 163.0309 398692.0 XWPZUHJBOLQNMN-UHFFFAOYSA-N C17H22N3OCl +Metconazole 165.04663 82686.0 XWPZUHJBOLQNMN-UHFFFAOYSA-N C17H22N3OCl +Metconazole 177.04655 645875.0 XWPZUHJBOLQNMN-UHFFFAOYSA-N C17H22N3OCl +Metconazole 191.06258 194319.0 XWPZUHJBOLQNMN-UHFFFAOYSA-N C17H22N3OCl +Nuarimol 113.03991 15277.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 123.02419 689099.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 123.03554 68936.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 128.04956 14564.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 129.01041 14843.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 133.0451 22041.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 138.99483 1332636.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 139.00581 94456.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 140.02657 19300.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 146.06032 14189.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 148.05606 39683.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 149.01559 14981.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 155.06064 19858.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 156.06824 55221.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 157.07619 36997.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 164.0265 18608.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 175.06673 21221.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 176.05058 19072.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 177.06996 49682.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 183.0555 30209.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 183.06081 88118.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 184.06332 19768.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 184.06868 59202.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 196.06854 97299.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 197.07671 61139.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 203.0621 35166.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 204.06998 19803.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 204.08092 49291.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 205.06487 29754.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 207.06059 882384.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 208.0686 634275.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 209.07669 25592.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 217.0218 165488.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 219.03754 41019.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 222.07198 384808.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 223.03162 30017.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 223.0799 43854.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 224.08748 416242.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 225.07111 247098.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 225.09467 22048.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 231.03761 14704.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 232.07594 99246.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 234.07179 197210.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 235.032 192527.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 235.05521 28642.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 235.07939 264307.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 236.06332 486776.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 242.08463 14147.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 243.03766 1030291.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 250.06654 105369.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 251.07462 143926.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 251.0981 73184.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 252.08234 1413294.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 260.06421 35847.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 261.08243 111553.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 262.0907 121243.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 263.09796 32958.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 269.04013 16405.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Nuarimol 270.04846 16960.0 SAPGTCDSBGMXCD-KRWDZBQOSA-N C17H12N2OClF +Paclobutrazol 87.0807 394679.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 89.03882 144548.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 91.05441 100589.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 95.04928 72012.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 102.04659 60868.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 103.05439 512214.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 113.0154 191248.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 115.0543 61507.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 116.06211 61856.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 125.01532 6037114.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 126.01882 85997.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 127.01254 4019573.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 129.07021 226797.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 130.078 602958.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 137.01562 331896.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 139.0309 780894.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 140.99162 137268.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 141.00285 65567.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 141.01048 108664.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 151.03107 202825.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 165.04663 986782.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Paclobutrazol 173.50876 86407.0 RMOGWMIKYWRTKW-UONOGXRCSA-N C15H20N3OCl +Penconazole 102.04659 746383.0 WKBPZYKAUNRMKP-JTQLQIEISA-N C13H15N3Cl2 +Penconazole 122.99965 1405085.0 WKBPZYKAUNRMKP-JTQLQIEISA-N C13H15N3Cl2 +Penconazole 137.01562 2859486.0 WKBPZYKAUNRMKP-JTQLQIEISA-N C13H15N3Cl2 +Penconazole 158.97626 62049868.0 WKBPZYKAUNRMKP-JTQLQIEISA-N C13H15N3Cl2 +Penconazole 172.99223 3885430.0 WKBPZYKAUNRMKP-JTQLQIEISA-N C13H15N3Cl2 +Propiconazole 122.99965 303053.0 STJLVHWMYQXCPB-UHFFFAOYSA-N C15H17N3O2Cl2 +Propiconazole 158.97626 24240670.0 STJLVHWMYQXCPB-UHFFFAOYSA-N C15H17N3O2Cl2 +Propiconazole 172.9556 1323126.0 STJLVHWMYQXCPB-UHFFFAOYSA-N C15H17N3O2Cl2 +Propiconazole 186.97108 391981.0 STJLVHWMYQXCPB-UHFFFAOYSA-N C15H17N3O2Cl2 +Propiconazole 190.96622 431621.0 STJLVHWMYQXCPB-UHFFFAOYSA-N C15H17N3O2Cl2 +Tebuconazole 89.03882 78455.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 103.05439 150981.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 115.0543 806550.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 116.06211 1104744.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 125.01532 7312966.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 129.07021 192428.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 130.078 394675.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 133.06488 89665.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 137.01562 81241.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 139.0309 552019.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 143.06068 143813.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 144.09352 109186.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 151.03107 2225088.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 165.04663 474739.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tebuconazole 179.0621 93619.0 PXMNMQRDXWABCY-INIZCTEOSA-N C16H22N3OCl +Tetraconazole 115.05463 210733.0 LQDARGUHUSPFNL-QMMMGPOBSA-N C13H11N3OCl2F4 +Tetraconazole 149.01559 493803.0 LQDARGUHUSPFNL-QMMMGPOBSA-N C13H11N3OCl2F4 +Tetraconazole 150.02344 1143618.0 LQDARGUHUSPFNL-QMMMGPOBSA-N C13H11N3OCl2F4 +Tetraconazole 158.97679 15780315.0 LQDARGUHUSPFNL-QMMMGPOBSA-N C13H11N3OCl2F4 +Tetraconazole 176.96693 301907.0 LQDARGUHUSPFNL-QMMMGPOBSA-N C13H11N3OCl2F4 +Tetraconazole 184.99236 249943.0 LQDARGUHUSPFNL-QMMMGPOBSA-N C13H11N3OCl2F4 +Triflumizole 278.05542 29552484.0 HSMVPDGQOIQYSR-UHFFFAOYSA-N C15H15N3OClF3 +Triflumizole 346.09351 955540.0 HSMVPDGQOIQYSR-UHFFFAOYSA-N C15H15N3OClF3 +Triticonazole 89.03882 57349.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 91.05464 43853.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 95.04953 68354.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 95.08585 78735.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 105.04505 52373.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 105.07019 44975.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 109.06509 75668.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 109.10148 51915.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 113.01572 53023.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 115.05463 68376.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 123.0806 45319.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 124.08866 67815.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 125.0157 4347652.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 127.01254 310325.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 128.06239 303332.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 130.078 46406.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 138.99483 44710.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 139.03134 105057.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 141.0033 76537.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 141.01048 71845.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 141.07028 162099.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 142.07797 64263.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 145.0649 84426.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 149.01559 164192.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 150.97079 108504.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 151.01263 78052.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 151.03107 81877.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 152.0202 168874.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 152.06247 59642.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 153.06992 138585.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 154.07816 168480.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 155.00728 52088.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 155.06064 174636.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 155.07307 63253.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 155.08603 105852.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 156.09389 497246.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 160.97346 52002.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 161.97681 59631.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 162.0233 93274.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 162.97058 1449389.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 163.0309 743940.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 165.04663 51233.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 165.06996 567265.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 166.07343 191274.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 167.0768 126513.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 167.08606 45824.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 174.97041 93433.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 175.0313 553302.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 176.03931 76155.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 177.04655 73758.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 178.96568 128779.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 181.10179 157033.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 185.07611 76498.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 188.98663 142622.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 189.04662 686868.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 189.05568 66741.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 190.04179 48399.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 191.06258 581232.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Triticonazole 196.12456 74697.0 PPDBOQMNKNNODG-QGZVFWFLSA-N C17H20N3OCl +Spinetoram L 85.06505 76410.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 87.04429 159491.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 95.04928 101292.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 97.06514 990457.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 98.09655 3217928.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 99.04415 293676.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 99.08067 604833.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 101.06004 88798.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 111.04435 94328.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 115.0755 369305.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 124.11241 164399.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 125.05997 306356.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 127.07556 185334.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 142.12299 6861919.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 157.08623 113064.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 +Spinetoram L 160.13321 150610.0 KWVYSEWJJXXTEZ-GDMNSMANSA-N C43H69NO10 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MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 111.04435 131558.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 115.05429 3711.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 117.06996 5571.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 118.04177 4476.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 120.04462 274740.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 121.03984 113412.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 122.06016 7843.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 124.07605 4049.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 135.04427 4178.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 145.06488 3067.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 164.95049 3848.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Formetanate_2 165.1024 263802.0 MYPKGPZHHQEODQ-UHFFFAOYSA-N C11H15N3O2 +Mexacarbate 134.07283 2632951.0 YNEVBPNZHBAYOA-UHFFFAOYSA-N C12H18N2O2 +Mexacarbate 136.07611 26036728.0 YNEVBPNZHBAYOA-UHFFFAOYSA-N C12H18N2O2 +Mexacarbate 150.092 1572118.0 YNEVBPNZHBAYOA-UHFFFAOYSA-N C12H18N2O2 +Mexacarbate 151.09932 54847764.0 YNEVBPNZHBAYOA-UHFFFAOYSA-N C12H18N2O2 +Mexacarbate 166.12282 1541928.0 YNEVBPNZHBAYOA-UHFFFAOYSA-N C12H18N2O2 +Monceren 89.03881 550831.0 OGYFATSSENRIKG-UHFFFAOYSA-N C19H21N2OCl +Monceren 94.06543 635265.0 OGYFATSSENRIKG-UHFFFAOYSA-N C19H21N2OCl +Monceren 106.06545 446416.0 OGYFATSSENRIKG-UHFFFAOYSA-N C19H21N2OCl +Monceren 125.01307 512150.0 OGYFATSSENRIKG-UHFFFAOYSA-N C19H21N2OCl +Monceren 125.01532 37442116.0 OGYFATSSENRIKG-UHFFFAOYSA-N C19H21N2OCl +Desmedipham 136.03947 1773399.0 WZJZMXBKUWKXTQ-UHFFFAOYSA-N C16H16N2O4 +Desmedipham 154.04993 1002798.0 WZJZMXBKUWKXTQ-UHFFFAOYSA-N C16H16N2O4 +Desmedipham 182.08162 6480130.0 WZJZMXBKUWKXTQ-UHFFFAOYSA-N C16H16N2O4 +Phenmedipham 136.03947 2596929.0 IDOWTHOLJBTAFI-UHFFFAOYSA-N C16H16N2O4 +Phenmedipham 168.06587 7038054.0 IDOWTHOLJBTAFI-UHFFFAOYSA-N C16H16N2O4
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/skyline/reduce_to_top_n_peaks.tabular Thu Nov 14 15:07:02 2024 +0000 @@ -0,0 +1,26 @@ +compound_name mz intensity +C001 175.0641 26780143.0 +C001 206.9034 26130980.0 +C001 216.9205 32607700.0 +C001 254.8252 23747536.0 +C001 256.8215 31377637.0 +C002 310.1623 295359836.0 +C002 525.375 1073323842.0 +C002 526.3783 181668883.0 +C002 551.3321 111616808.0 +C002 1047.7378 150394804.0 +C003 288.6414 202172046.0 +C003 522.3565 4089569222.0 +C003 523.354 1201714423.0 +C003 1043.7028 144351468.0 +C003 1044.7068 83271854.0 +C004 496.34 12577588056.0 +C004 497.3442 3337125302.0 +C004 498.3462 532285213.0 +C004 991.6726 1420557258.0 +C004 992.6749 763118028.0 +C005 218.1386 14009249.0 +C005 337.0623 88672453.0 +C005 353.0361 37061354.0 +C005 359.0443 48435582.0 +C005 375.018 29159485.0