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Table 1 Summary of the NORMAN-SLE datasets, split by the groups shown in Fig. 4, with suspect list number (S), code, number of entries (lines in the file, in italics) and the accompanying references

From: The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Group

List number, Code, Entries (total lines) and References

(A)

 > 8000

S0 SUSDAT 109,631 [69, 83]; S71 CECSCREEN 70,397 [84, 85]; S32 REACH2017 68,679 [86]; S17 KEMIMARKET 50,308 [68]; S77 FCCDB 12,285 [87,88,89]; S2 STOFFIDENT 11,289 [17, 90]; S19 MZCLOUD 8742 [91]; S55 ZINC15PHARMA 8646 [92,93,94]

(B)

1700–8000

S33 SOLUTIONSMLOS 6463 [95,96,97]; S27 KWRSJERPS2 5702 [98, 99]; S89 PRORISKPFAS 4777 [100, 101]; S25 OECDPFAS 4725 [60,61,62]; S38 SOLNSLMCTPS 4465 [96, 97, 102]; S49 CPPDBLISTB 3353 [103,104,105]; S13 EUCOSMETICS 3333 [106,107,108]; S70 EISUSGCEIMS 3266 [109]; S73 METXBIODB 3148 [110, 111]; S14 KEMIPFAS 2602 [112, 113]; S21 UATHTARGETS 2466 [114, 115]; S1 MASSBANK 2305 [38, 116, 117]; S75 CYANOMETDB 2124 [118, 119]; S35 INDOORCT16 2056 [6, 120]; S50 CCSCOMPEND 1983 [121,122,123]; S80 PFASGLUEGE 1926 [124, 125]; S22 EPACONS 1705 [126, 127]

(C)

800–1700

S60 SWISSPEST19 1664 [128, 129]; S3 NORMANCT15 1662 [4, 130]; S29 PHYTOTOXINS 1586 [131, 132]; S87 CHLORINETPS 1470 [133, 134]; S31 WRTMSD 1429 [135, 136]; S84 UFZHSFPMT 1310 [137,138,139]; S16 FRENCHLIST 1256 [140]; S37 LITMINEDNEURO 1243 [57, 59]; S53 UFZWANATARG 1235 [141]; S82 EAWAGPMT 1162 [142, 143]; S23 EIUBASURF 1154 [144]; S39 KEMIWWSUS 1123 [145]; S72 NTUPHTW 1068 [146, 147]; S46 PFASNTREV19 1030 [46, 47]; S10 SWISSPHARMA 1020 [13, 148]; S18 TSCASURF 985 [48]; S61 UJICCSLIB 970 [149, 150]; S15 NORMANPRI 967 [151]; S48 CPPDBLISTA 902 [103, 105, 152]; S51 WRIGCHRMS 892 [153]; S76 LUXPHARMA 816 [154, 155]

(D)

300–800

S42 HDXNOEX 765 [156, 157]; S9 PFASTRIER 746 [45]; S6 ITNANTIBIOTIC 676 [158, 159]; S4 UJIBADE 544 [160, 161]; S58 PSYCHOCANNAB 531 [64]; S43 NEUROTOXINS 511 [58, 59]; S66 EAWAGTPS 486 [162, 163]; S34 EXPOSOMEXPL 440 [164,165,166]; S94 FLUOROPEST 423 [167, 168]; S47 ECHAPLASTICS 418 [169, 170]; S7 EAWAGSURF 410 [14, 171]; S78 SLUPESTTPS 400 [172, 173]; S69 LUXPEST 386 [174, 175]; S36 UBAPMT 341 [54, 176, 177]; S8 ATHENSSUS 340 [49, 178]; S92 FLUOROPHARMA 340 [179, 180]; S65 UATHTARGETSGC 334 [181, 182]; S62 NORMANEWS2 321 [183, 184]; S85 MICROCYSTINS 321 [118, 185]; S79 UACCSCEC 311 [186, 187]

(E)

95–300

S57 GREEKPHARMA 263 [188]; S96 ECIPFAS 258 [72]; S11 SWISSPEST 218 [12, 189]; S54 EFSAPRI 212 [190, 191]; S30 PHENANTIOX 209 [192]; S24 HUMANNEUROTOX 190 [56, 59]; S56 UOATARGPHARMA 185 [193,194,195]; S28 EUBIOCIDES 160 [196]; S5 KWRSJERPS 159 [99, 197]; S12 NORMANEWS 156 [198, 199]; S26 MYCOTOXINS 149 [200]; S74 REFTPS 146 [71]; S64 NATOXAQ 130 [201, 202]; S91 CECTOYS 126 [203, 204]; S68 HSDBTPS 101 [174, 205]; S86 TATTOOINK 98 [206,207,208]; S41 CCL4 96 [209, 210]; S83 CCL5 96 [211, 212]; S52 THSMOKE 95 [213]

(F)

 < 95

S95 PFASANEXCH 94 [214, 215]; S63 UBADWGW 84 [176, 216]; S59 NPINSECT 83 [217]; S67 TBUTYLPHENOLS 77 [218]; S97 UBABPAALT 71 [219, 220]; S88 UBABIOCIDES 62 [221,222,223]; S93 CECMOUTHING 60 [203, 204]; S40 ALGALTOX 54 [224]; S20 BISPHENOLS 52 [225, 226]; S81 THSTPS 52 [227]; S45 SYNTHCANNAB 39 [63]; S90 ZEROPMBOX1 38 [228, 229]; S44 STATINS 18 [230]; S98 TIRECHEM 16 [231]

  1. Full details given in Additional file 1 and Additional file 2 [81, 82]