Mercurial > repos > fgiacomoni > golm_ws_lib_search
changeset 1:4dc76dcbd1e7 draft
planemo upload for repository https://github.com/workflow4metabolomics/tool-bank-golm-lib_search.git commit eda71915d21e2d24efc3e04a3ab21758d8c3f409
| author | fgiacomoni |
|---|---|
| date | Mon, 05 Dec 2016 08:41:00 -0500 |
| parents | e3d43b8c987b |
| children | 11779b6402bc |
| files | test-data/KHanaoka_peakspectra.msp |
| diffstat | 1 files changed, 0 insertions(+), 995 deletions(-) [+] |
line wrap: on
line diff
--- a/test-data/KHanaoka_peakspectra.msp Mon Dec 05 08:32:04 2016 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,995 +0,0 @@ -Name: Unknown 1 -DB.idx: -1 -rt: 21.716 -Class: Unknown -rt.sd: 0.0034 -Num Peaks: 35 - 34 1872; 36 4218; 37 39432; 38 76320; 39 394560; - 40 63368; 41 582144; 42 606848; 43 431680; 44 44888; - 45 499264; 46 17176; 47 15103; 49 2157; 50 3843; - 51 2281; 52 2201; 53 15926; 54 5466; 55 274496; - 56 14999; 60 2631168; 61 67568; 62 10726; 68 8040; - 69 45736; 70 23664; 71 72120; 73 877056; 74 33392; - 75 3772; 87 39608; 88 45784; 89 14154; 90 896; - -Name: Unknown 2 -DB.idx: -2 -rt: 3.513 -Class: Unknown -rt.sd: 0.0015 -Num Peaks: 49 - 38 1882; 39 92080; 40 19592; 41 480832; 42 32344; - 43 236928; 44 9597; 50 1989; 51 6101; 52 3524; - 53 33960; 54 7422; 55 180224; 56 962752; 57 2366976; - 58 104656; 59 1985; 63 1022; 65 6145; 66 2078; - 67 18928; 68 3234; 69 57408; 70 19928; 71 145600; - 72 8488; 77 5033; 78 1226; 79 5690; 80 844; - 81 5024; 82 1579; 83 32352; 84 4554; 85 118632; - 86 8063; 93 979; 95 1734; 97 10545; 98 6114; - 99 106120; 100 8584; 111 2090; 112 72392; 113 45768; - 114 3665; 154 609; 155 9266; 156 1436; - -Name: Unknown 3 -DB.idx: -3 -rt: 23.84 -Class: Unknown -rt.sd: 0.0026 -Num Peaks: 54 - 37 7073; 38 20224; 39 248384; 40 35488; 41 550912; - 42 136384; 43 525248; 44 31760; 45 194496; 46 8497; - 47 6316; 49 2397; 50 19512; 51 29464; 52 10230; - 53 63488; 54 19584; 55 630656; 56 186368; 57 1009344; - 58 51240; 59 165376; 60 333120; 61 23528; 62 4084; - 63 3412; 65 3729; 67 8115; 68 3773; 69 46152; - 70 45040; 71 9504; 73 576704; 74 555520; 75 51688; - 76 3653; 77 3575; 81 9534; 82 3455; 83 158144; - 84 9385; 87 64288; 88 5187; 97 16776; 98 6155; - 99 12940; 100 3073; 101 34232; 102 2837; 103 5049; - 104 2812; 115 1848; 117 3546; 132 1975; - -Name: Unknown 4 -DB.idx: -4 -rt: 24.238 -Class: Unknown -rt.sd: 0.0028 -Num Peaks: 45 - 37 3606; 38 10762; 39 129176; 40 21632; 41 270080; - 42 135168; 43 183936; 44 14971; 45 164352; 46 5267; - 47 4082; 50 5846; 51 9314; 52 3492; 53 20872; - 54 7617; 55 156672; 56 91288; 57 100008; 58 6730; - 59 19280; 60 922752; 61 93328; 62 6487; 63 2150; - 65 2738; 67 4649; 68 5233; 69 31944; 70 30864; - 71 7478; 73 431168; 74 61272; 75 4651; 80 4459; - 83 10227; 87 129904; 97 4419; 98 4035; 99 8020; - 105 2057; 119 3784; 129 740; 159 4461; 160 722; - -Name: Unknown 5 -DB.idx: -5 -rt: 26.546 -Class: Unknown -rt.sd: 0.0025 -Num Peaks: 60 - 33 3190; 36 2157; 37 34912; 38 84760; 39 481600; - 40 120640; 41 529984; 42 236608; 43 278784; 44 32992; - 45 97512; 46 5979; 47 8652; 49 10603; 50 58488; - 51 87648; 52 35960; 53 84160; 54 27776; 55 256192; - 56 78720; 57 27384; 58 46680; 59 3982; 61 25072; - 62 40008; 63 64536; 64 16117; 65 200256; 66 258688; - 67 431680; 68 56176; 69 148288; 70 82096; 71 41056; - 72 2862; 77 6989; 78 1293; 79 32568; 80 2950; - 81 9911; 82 14707; 83 45944; 84 51584; 85 4913; - 86 1722; 92 1862; 93 14284; 94 15111; 95 54368; - 97 862592; 98 107328; 99 331648; 100 23656; 101 2449; - 110 2377; 111 53768; 112 409600; 113 29776; 114 2942; - -Name: Unknown 6 -DB.idx: -6 -rt: 23.158 -Class: Unknown -rt.sd: 0.0035 -Num Peaks: 33 - 37 3709; 38 9334; 39 84024; 40 11251; 41 150592; - 42 93848; 43 101920; 44 11079; 45 123480; 46 5126; - 47 3737; 49 1890; 50 8897; 51 9698; 52 3186; - 53 14335; 54 5375; 55 101248; 56 53168; 57 25432; - 59 11406; 60 799488; 61 38376; 62 3749; 69 4646; - 73 301120; 74 28576; 75 2881; 82 2492; 83 5137; - 85 7704; 87 18536; 101 1836; - -Name: Unknown 7 -DB.idx: -7 -rt: 19.993 -Class: Unknown -rt.sd: 0.0041 -Num Peaks: 27 - 36 1394; 37 3932; 38 2945; 39 5378; 41 12047; - 42 33232; 43 26448; 44 15855; 45 362368; 46 32080; - 47 19056; 52 2998; 53 16480; 54 4117; 55 106752; - 56 92184; 57 185152; 58 7053; 59 4947; 73 265024; - 74 395264; 75 16339; 76 1841; 82 2631; 98 2957; - 111 2197; 125 875; - -Name: Unknown 8 -DB.idx: -8 -rt: 4.668 -Class: Unknown -rt.sd: 0.0045 -Num Peaks: 22 - 39 14553; 41 74752; 43 64768; 53 5585; 54 1279; - 55 28176; 56 46888; 57 436096; 58 19080; 67 2983; - 69 7267; 70 16105; 83 10388; 84 2162; 85 8550; - 97 4523; 98 12271; 99 59848; 100 4446; 112 9866; - 113 24632; 114 2411; - -Name: Unknown 9 -DB.idx: -9 -rt: 28.9 -Class: Unknown -rt.sd: 0.0016 -Num Peaks: 80 - 38 2041; 39 21824; 40 3862; 41 26680; 50 5168; - 51 17928; 52 12583; 53 21744; 54 7217; 55 16912; - 62 3197; 63 10232; 64 3595; 65 19320; 66 7181; - 67 8744; 69 4683; 75 3127; 76 4791; 77 47392; - 78 18208; 79 21400; 80 3712; 81 6606; 82 6700; - 89 7684; 90 2474; 91 45592; 92 5991; 93 8375; - 94 8681; 95 4980; 102 3471; 103 15319; 104 8129; - 105 18232; 106 5607; 107 19808; 108 6860; 109 13748; - 110 8791; 111 963; 115 22480; 116 7709; 117 6544; - 118 2203; 119 4681; 120 2054; 121 11480; 122 14465; - 123 8295; 124 27224; 125 16150; 126 1652; 127 1341; - 128 2019; 129 1177; 131 10627; 132 6478; 133 7281; - 134 3523; 135 7740; 136 4765; 137 226240; 138 21248; - 139 3045; 145 1201; 146 1113; 147 3094; 148 2810; - 149 13988; 150 16373; 151 4172; 163 1728; 165 298048; - 166 33056; 167 3162; 180 146368; 181 17360; 182 1672; - -Name: Unknown 10 -DB.idx: -10 -rt: 2.849 -Class: Unknown -rt.sd: 0.0029 -Num Peaks: 25 - 37 6048; 38 14298; 39 118144; 40 16536; 41 272000; - 42 57408; 43 213120; 44 295360; 45 36480; 46 1465; - 49 1726; 50 8025; 51 7541; 52 1880; 53 14046; - 54 1655; 58 147968; 59 5947; 67 4409; 68 4135; - 69 4425; 71 56200; 72 3186; 85 3215; 86 11936; - -Name: Unknown 11 -DB.idx: -11 -rt: 6.723 -Class: Unknown -rt.sd: 0.0018 -Num Peaks: 35 - 37 2210; 38 6017; 39 72816; 40 13461; 41 186560; - 42 37888; 43 141184; 44 222336; 45 44008; 46 1502; - 50 3882; 51 5965; 52 1842; 53 11405; 54 7642; - 55 46736; 56 193536; 57 144448; 58 22184; 62 894; - 63 1293; 65 1737; 67 25712; 68 2222; 69 4923; - 70 4926; 71 26440; 72 44704; 79 1104; 81 4034; - 82 33808; 83 4260; 99 1780; 147 484; 191 902; - -Name: Unknown 12 -DB.idx: -12 -rt: 1.953 -Class: Unknown -rt.sd: 0.0065 -Num Peaks: 8 - 37 3720; 38 5789; 39 28424; 41 73920; 42 13373; - 43 158848; 58 35848; 72 40080; - -Name: Unknown 13 -DB.idx: -13 -rt: 4.782 -Class: Unknown -rt.sd: 0.0023 -Num Peaks: 7 - 41 34368; 43 42432; 56 27320; 57 150336; 58 7013; - 83 4728; 85 9035; - -Name: Unknown 14 -DB.idx: -14 -rt: 10.588 -Class: Unknown -rt.sd: 0.0026 -Num Peaks: 31 - 39 11544; 41 60000; 42 17360; 43 118936; 53 3634; - 54 2904; 55 27056; 56 25136; 57 146624; 58 6761; - 67 2310; 68 1512; 69 10129; 70 16792; 71 70264; - 72 3728; 82 1182; 83 5513; 84 9898; 85 42608; - 86 3062; 97 2717; 98 7717; 99 7089; 112 4919; - 113 3748; 126 2028; 127 2674; 140 825; 141 1301; - 170 3720; - -Name: Unknown 15 -DB.idx: -15 -rt: 7.992 -Class: Unknown -rt.sd: 0.0021 -Num Peaks: 23 - 38 1736; 39 9039; 50 5693; 51 14189; 52 4416; - 62 2017; 63 6048; 64 1123; 65 11223; 75 1482; - 76 1558; 77 11177; 78 9765; 79 5194; 89 3770; - 91 132032; 92 10149; 102 1284; 103 4419; 104 1544; - 105 6776; 106 43264; 107 3804; - -Name: Unknown 16 -DB.idx: -16 -rt: 16.683 -Class: Unknown -rt.sd: 0.0037 -Num Peaks: 35 - 39 14772; 41 68560; 43 134464; 53 5514; 55 58504; - 56 28656; 57 159168; 58 7931; 67 3523; 68 4232; - 69 15488; 70 17608; 71 89072; 72 5441; 82 2901; - 83 8639; 84 10619; 85 56416; 86 3768; 97 8520; - 98 8715; 99 12452; 111 12220; 112 6225; 113 5442; - 119 1376; 126 5067; 127 3392; 140 2307; 141 2569; - 154 950; 155 1577; 168 472; 169 708; 198 3045; - -Name: Unknown 17 -DB.idx: -17 -rt: 16.38 -Class: Unknown -rt.sd: 0.0029 -Num Peaks: 40 - 39 34160; 40 6138; 41 109448; 42 33496; 43 83496; - 44 69088; 45 19776; 51 2691; 52 1221; 53 9752; - 54 18704; 55 71296; 56 76248; 57 126816; 58 9283; - 65 1878; 66 4223; 67 25792; 68 33632; 69 37000; - 70 40920; 71 17608; 72 8350; 79 3515; 80 1462; - 81 28424; 82 37216; 83 16656; 84 2080; 85 4034; - 86 2863; 93 1187; 95 25376; 96 22296; 97 3177; - 98 34064; 99 6522; 109 2835; 114 7796; 124 2334; - -Name: Unknown 18 -DB.idx: -18 -rt: 5.381 -Class: Unknown -rt.sd: 0.0054 -Num Peaks: 20 - 41 34408; 43 42304; 53 3276; 55 15674; 56 26008; - 57 117472; 58 5595; 70 26024; 71 40192; 72 2396; - 83 4371; 84 2377; 85 11524; 86 802; 98 2140; - 99 4718; 111 740; 113 5077; 126 886; 127 2427; - -Name: Unknown 19 -DB.idx: -19 -rt: 4.394 -Class: Unknown -rt.sd: 0.0024 -Num Peaks: 22 - 39 10361; 41 44416; 42 13187; 43 85768; 53 2911; - 54 1701; 55 16648; 56 26272; 57 110696; 58 5070; - 69 5872; 70 12230; 71 34152; 72 2270; 84 8617; - 85 24264; 86 1894; 98 4792; 99 5021; 112 2814; - 113 3471; 142 3451; - -Name: Unknown 20 -DB.idx: -20 -rt: 19.557 -Class: Unknown -rt.sd: 0 -Num Peaks: 16 - 37 3209; 38 4074; 49 3525; 50 27640; 51 46568; - 52 11822; 62 2255; 63 3247; 74 9572; 75 4548; - 76 5382; 77 90872; 78 17768; 105 89216; 106 95392; - 107 7872; - -Name: Unknown 21 -DB.idx: -21 -rt: 11.592 -Class: Unknown -rt.sd: 0.0025 -Num Peaks: 21 - 39 7952; 50 1596; 51 3273; 52 2454; 53 15957; - 54 2589; 65 2043; 67 3647; 68 3085; 77 1941; - 79 3076; 81 92912; 82 21968; 83 3166; 94 4197; - 95 5232; 96 1879; 109 2305; 123 1243; 138 14140; - 139 1820; - -Name: Unknown 22 -DB.idx: -22 -rt: 24.776 -Class: Unknown -rt.sd: 0.0028 -Num Peaks: 49 - 51 5620; 52 2313; 53 5500; 54 2315; 63 3863; - 64 1826; 65 6019; 71 5897; 75 4151; 77 15399; - 78 5301; 87 4978; 89 3421; 91 18488; 92 3718; - 93 3291; 102 1053; 103 5649; 104 2102; 105 5448; - 107 2846; 108 2902; 109 2332; 115 5500; 116 1713; - 118 886; 119 4235; 120 1420; 121 17848; 122 2276; - 123 3131; 124 4492; 131 2242; 132 1087; 133 2220; - 135 2926; 136 6281; 138 4514; 139 4815; 147 2648; - 148 2058; 149 11581; 151 26312; 152 2766; 163 2303; - 164 40024; 179 90880; 194 46480; 195 6487; - -Name: Unknown 23 -DB.idx: -23 -rt: 8.45 -Class: Unknown -rt.sd: 0 -Num Peaks: 23 - 38 1483; 39 8239; 50 3614; 51 8912; 52 4213; - 53 2464; 62 1935; 63 5169; 64 1029; 65 5895; - 75 940; 77 10457; 78 5636; 79 5533; 89 2326; - 91 81904; 92 6367; 102 1206; 103 5086; 104 1859; - 105 16704; 106 41288; 107 3724; - -Name: Unknown 24 -DB.idx: -24 -rt: 25.842 -Class: Unknown -rt.sd: 0.0035 -Num Peaks: 10 - 39 12410; 40 10566; 41 46840; 42 43904; 52 2085; - 54 2841; 56 12891; 84 17760; 85 81640; 86 4343; - -Name: Unknown 25 -DB.idx: -25 -rt: 26.056 -Class: Unknown -rt.sd: 0.0027 -Num Peaks: 5 - 43 81304; 103 12884; 115 4552; 116 5955; 145 9137; - -Name: Unknown 26 -DB.idx: -26 -rt: 3.843 -Class: Unknown -rt.sd: 0.0087 -Num Peaks: 5 - 38 1835; 42 11607; 43 79696; 50 1563; 86 10446; - -Name: Unknown 27 -DB.idx: -27 -rt: 9.852 -Class: Unknown -rt.sd: 0.0022 -Num Peaks: 21 - 39 6138; 50 3019; 51 6887; 52 3352; 53 1815; - 62 1297; 63 3326; 64 753; 65 4249; 77 7590; - 78 4234; 79 4066; 89 1741; 91 65696; 92 4933; - 102 738; 103 4221; 104 1766; 105 11618; 106 29768; - 107 2740; - -Name: Unknown 28 -DB.idx: -28 -rt: 29.257 -Class: Unknown -rt.sd: 0.0033 -Num Peaks: 43 - 50 1560; 51 3939; 52 1900; 53 5159; 54 1552; - 63 2378; 64 837; 65 5695; 67 2492; 77 14606; - 78 2513; 79 4916; 80 857; 81 2376; 82 1542; - 93 2206; 103 3679; 105 2830; 107 13067; 108 1712; - 109 2690; 110 1684; 115 2052; 119 1321; 121 3621; - 122 2411; 123 2370; 124 3415; 125 2597; 131 1663; - 132 725; 133 1964; 134 1016; 135 5164; 137 30936; - 138 3092; 147 1652; 149 1787; 150 19712; 151 4238; - 165 62928; 166 7492; 180 28960; - -Name: Unknown 29 -DB.idx: -29 -rt: 26.144 -Class: Unknown -rt.sd: 0.0074 -Num Peaks: 38 - 38 2337; 39 11051; 50 5739; 51 8880; 52 4331; - 53 8428; 54 3462; 55 15005; 62 1926; 63 3848; - 64 1175; 65 3399; 66 3299; 67 6287; 77 18880; - 78 4517; 79 13610; 80 5054; 81 2230; 83 4516; - 84 14188; 90 5493; 91 4191; 97 11635; 98 2282; - 104 2662; 107 60776; 108 54456; 109 4797; 111 1486; - 112 5802; 115 3281; 117 3781; 118 908; 125 6112; - 132 1116; 188 1019; 191 985; - -Name: Unknown 30 -DB.idx: -30 -rt: 17.867 -Class: Unknown -rt.sd: 0.0016 -Num Peaks: 14 - 35 4639; 46 7262; 47 22936; 48 60160; 49 7160; - 50 2886; 58 4565; 59 6470; 61 18256; 75 2766; - 76 18432; 78 1057; 104 29560; 105 1895; - -Name: Unknown 31 -DB.idx: -31 -rt: 25.973 -Class: Unknown -rt.sd: 0.0049 -Num Peaks: 15 - 41 28496; 55 22256; 59 6531; 60 58688; 61 7993; - 69 8124; 73 40112; 82 1881; 83 3951; 84 10238; - 85 12244; 87 7988; 101 13275; 102 1160; 115 5232; - -Name: Unknown 32 -DB.idx: -32 -rt: 19.619 -Class: Unknown -rt.sd: 0.0014 -Num Peaks: 18 - 39 14229; 41 14217; 43 35160; 53 14937; 54 2412; - 65 4670; 66 4297; 67 3940; 79 19512; 80 2769; - 81 28664; 82 5358; 95 57960; 96 4155; 109 7871; - 123 1322; 124 13531; 125 1260; - -Name: Unknown 33 -DB.idx: -33 -rt: 22.402 -Class: Unknown -rt.sd: 0.006 -Num Peaks: 15 - 44 42296; 70 7017; 71 8979; 79 1962; 80 1755; - 93 4507; 98 39760; 99 56784; 100 3779; 111 2335; - 119 7792; 121 1970; 125 1137; 139 1363; 147 673; - -Name: Unknown 34 -DB.idx: -34 -rt: 28.515 -Class: Unknown -rt.sd: 0.0041 -Num Peaks: 9 - 50 2269; 62 3056; 63 6916; 64 1946; 89 18608; - 90 22880; 116 4341; 117 53552; 118 5339; - -Name: Unknown 35 -DB.idx: -35 -rt: 4.775 -Class: Unknown -rt.sd: 0 -Num Peaks: 6 - 69 5444; 70 23768; 71 52832; 72 2965; 126 1074; - 127 4587; - -Name: Unknown 36 -DB.idx: -36 -rt: 7.219 -Class: Unknown -rt.sd: 0.0024 -Num Peaks: 14 - 41 17176; 42 4879; 43 30632; 55 7590; 56 8917; - 57 38480; 69 3818; 70 4343; 71 16115; 84 2898; - 85 9044; 98 2134; 99 1512; 156 1027; - -Name: Unknown 37 -DB.idx: -37 -rt: 13.345 -Class: Unknown -rt.sd: 0.0017 -Num Peaks: 27 - 39 17976; 40 3467; 41 47816; 42 24024; 43 49144; - 44 40312; 53 4209; 54 4773; 55 33336; 56 35024; - 57 37888; 66 2428; 67 11226; 68 12265; 69 16368; - 71 5996; 72 4846; 79 1723; 80 680; 81 11740; - 82 11961; 84 22520; 85 8757; 86 1516; 95 5058; - 100 5463; 110 2871; - -Name: Unknown 38 -DB.idx: -38 -rt: 27.063 -Class: Unknown -rt.sd: 0.0063 -Num Peaks: 10 - 51 5174; 65 4246; 66 5253; 77 11846; 79 2398; - 94 33880; 95 5858; 107 2612; 138 9462; 140 867; - -Name: Unknown 39 -DB.idx: -39 -rt: 21.912 -Class: Unknown -rt.sd: 0.0046 -Num Peaks: 14 - 39 9636; 50 2343; 51 3866; 59 4179; 62 1702; - 63 4631; 64 1066; 65 10911; 89 3301; 90 1318; - 91 51232; 92 12645; 93 1543; 120 9697; - -Name: Unknown 40 -DB.idx: -40 -rt: 1.498 -Class: Unknown -rt.sd: 0.0025 -Num Peaks: 6 - 45 26104; 46 5607; 47 43288; 48 36400; 49 2787; - 50 1659; - -Name: Unknown 41 -DB.idx: -41 -rt: 18.086 -Class: Unknown -rt.sd: 0.0018 -Num Peaks: 11 - 36 911; 37 5429; 38 9361; 39 27504; 49 2115; - 50 2270; 51 1892; 67 3499; 95 40024; 96 42888; - 97 3395; - -Name: Unknown 42 -DB.idx: -42 -rt: 24.892 -Class: Unknown -rt.sd: 0.0032 -Num Peaks: 26 - 81 4357; 95 3607; 105 6337; 115 4700; 116 1922; - 119 3438; 121 3594; 127 1115; 128 3306; 129 3640; - 130 1627; 131 3305; 133 2967; 135 1812; 141 2135; - 142 1502; 143 1152; 145 8727; 147 1270; 161 2684; - 177 5234; 189 2293; 205 56520; 206 8691; 220 13873; - 221 2351; - -Name: Unknown 43 -DB.idx: -43 -rt: 12.579 -Class: Unknown -rt.sd: 0 -Num Peaks: 12 - 37 1799; 38 3387; 39 8567; 40 7659; 51 1924; - 52 3122; 53 6089; 64 878; 67 16624; 93 997; - 94 35032; 95 2468; - -Name: Unknown 44 -DB.idx: -44 -rt: 10.071 -Class: Unknown -rt.sd: 0.0039 -Num Peaks: 16 - 39 12839; 41 30672; 42 18152; 44 34336; 53 2802; - 54 2830; 55 22704; 57 21512; 67 3250; 68 5351; - 70 27640; 71 9362; 72 3849; 81 8571; 86 5921; - 96 4114; - -Name: Unknown 45 -DB.idx: -45 -rt: 2.188 -Class: Unknown -rt.sd: 0.0024 -Num Peaks: 12 - 96 4562; 133 2911; 147 766; 163 698; 177 1463; - 191 3532; 192 742; 193 1134; 207 33136; 208 6867; - 209 4144; 210 740; - -Name: Unknown 46 -DB.idx: -46 -rt: 14.466 -Class: Unknown -rt.sd: 0.0015 -Num Peaks: 16 - 37 1459; 38 3686; 39 16608; 40 13371; 42 26744; - 43 50560; 52 1546; 64 980; 66 1868; 67 2629; - 71 12140; 81 2669; 99 11946; 107 1547; 108 34872; - 109 2853; - -Name: Unknown 47 -DB.idx: -47 -rt: 24.704 -Class: Unknown -rt.sd: 0.0039 -Num Peaks: 8 - 79 30528; 80 2378; 81 7869; 94 16247; 95 21352; - 96 2629; 126 1075; 141 737; - -Name: Unknown 48 -DB.idx: -48 -rt: 16.188 -Class: Unknown -rt.sd: 0 -Num Peaks: 8 - 43 29192; 55 12100; 61 1863; 69 4564; 70 19240; - 83 6685; 84 3528; 86 1738; - -Name: Unknown 49 -DB.idx: -49 -rt: 8.237 -Class: Unknown -rt.sd: 0.0024 -Num Peaks: 12 - 51 3259; 52 1484; 63 1588; 77 3548; 78 1889; - 79 1944; 91 25568; 92 1921; 103 2179; 105 5794; - 106 12575; 107 1248; - -Name: Unknown 50 -DB.idx: -50 -rt: 4.29 -Class: Unknown -rt.sd: 0 -Num Peaks: 9 - 133 1343; 191 1011; 193 1365; 249 1016; 265 963; - 281 12752; 282 3876; 283 2537; 284 517; - -Name: Unknown 51 -DB.idx: -51 -rt: 17.78 -Class: Unknown -rt.sd: 0.002 -Num Peaks: 9 - 52 1696; 53 2792; 80 1462; 107 3611; 108 4189; - 109 1052; 121 1735; 135 23536; 136 17616; - -Name: Unknown 52 -DB.idx: -52 -rt: 28.576 -Class: Unknown -rt.sd: 0.0023 -Num Peaks: 7 - 111 1438; 115 6066; 129 1234; 130 574; 157 13262; - 158 1058; 203 1428; - -Name: Unknown 53 -DB.idx: -53 -rt: 19.697 -Class: Unknown -rt.sd: 0.0025 -Num Peaks: 15 - 115 1113; 119 3192; 129 557; 131 980; 133 4324; - 134 545; 145 1057; 147 1344; 148 3390; 161 9384; - 162 1200; 175 4022; 176 713; 189 1990; 204 2239; - -Name: Unknown 54 -DB.idx: -54 -rt: 22.277 -Class: Unknown -rt.sd: 0.0055 -Num Peaks: 6 - 97 2002; 111 2281; 121 1602; 122 11413; 135 1459; - 163 855; - -Name: Unknown 55 -DB.idx: -55 -rt: 25.037 -Class: Unknown -rt.sd: 0.0033 -Num Peaks: 8 - 63 1645; 78 2339; 102 1443; 115 10100; 116 3482; - 117 8941; 118 1471; 146 6170; - -Name: Unknown 56 -DB.idx: -56 -rt: 24.521 -Class: Unknown -rt.sd: 0.0032 -Num Peaks: 6 - 79 4418; 82 2396; 93 1656; 95 4553; 121 2217; - 135 1090; - -Name: Unknown 57 -DB.idx: -57 -rt: 17.642 -Class: Unknown -rt.sd: 0.0031 -Num Peaks: 11 - 40 12239; 41 48240; 42 170752; 43 1050112; 44 63128; - 45 981120; 46 13665; 47 4240; 60 615296; 61 18096; - 62 2365; - -Name: Unknown 58 -DB.idx: -58 -rt: 22.351 -Class: Unknown -rt.sd: 0.0047 -Num Peaks: 20 - 37 1952; 38 4611; 39 39856; 41 79128; 43 83560; - 45 51584; 46 1644; 50 2408; 51 3006; 53 4166; - 56 13812; 57 40560; 59 9731; 60 205696; 61 12843; - 69 11923; 73 12374; 74 68192; 87 41184; 88 2306; - -Name: Unknown 59 -DB.idx: -59 -rt: 22.03 -Class: Unknown -rt.sd: 0.0062 -Num Peaks: 61 - 39 13005; 41 34264; 42 11634; 43 37080; 50 5331; - 51 12043; 52 1721; 53 4536; 54 2970; 55 31232; - 56 9950; 57 16290; 60 20024; 61 16568; 62 1699; - 63 3086; 67 4791; 68 3515; 69 14352; 70 22768; - 71 9947; 73 21328; 74 4113; 76 1322; 77 27760; - 78 3035; 79 4717; 80 1551; 81 4451; 83 9305; - 84 6416; 85 5005; 86 1450; 87 3712; 88 88736; - 89 9744; 90 1322; 93 2259; 95 3311; 97 5133; - 98 4219; 101 37952; 102 3782; 105 34064; 107 11003; - 111 2740; 115 7276; 116 804; 120 13630; 121 6901; - 129 2765; 130 594; 135 1151; 143 3783; 150 3400; - 155 12362; 156 1723; 157 12279; 158 1260; 171 2119; - 200 1081; - -Name: Unknown 60 -DB.idx: -60 -rt: 21.615 -Class: Unknown -rt.sd: 0.0057 -Num Peaks: 9 - 37 2468; 38 3897; 39 15295; 40 10917; 41 47960; - 42 82608; 56 24344; 85 8404; 86 22504; - -Name: Unknown 61 -DB.idx: -61 -rt: 20.758 -Class: Unknown -rt.sd: 0.0037 -Num Peaks: 42 - 39 18176; 40 3544; 50 3758; 51 7312; 52 3858; - 53 19760; 54 2579; 55 12078; 63 2190; 65 6435; - 66 4340; 67 5796; 77 9162; 78 2388; 79 22352; - 80 3076; 81 30120; 82 4586; 91 8588; 92 1925; - 93 5393; 94 5565; 95 77904; 96 5878; 105 5389; - 107 4862; 109 14748; 110 6435; 111 1077; 119 3901; - 121 2542; 123 2060; 124 12074; 125 1292; 133 3238; - 134 1589; 135 3222; 147 2194; 161 6120; 162 1118; - 189 2584; 204 1822; - -Name: Unknown 62 -DB.idx: -62 -rt: 14.279 -Class: Unknown -rt.sd: 0.0035 -Num Peaks: 29 - 37 2286; 38 6848; 39 37688; 40 17184; 41 32216; - 42 66096; 50 1941; 51 4657; 52 5478; 53 6176; - 54 2729; 55 24008; 56 13932; 57 17896; 64 1421; - 66 1894; 67 3545; 68 8613; 69 10880; 70 10564; - 79 2710; 80 2884; 81 10650; 82 1429; 83 20576; - 84 4760; 107 2703; 108 63528; 109 5112; - -Name: Unknown 63 -DB.idx: -63 -rt: 13.721 -Class: Unknown -rt.sd: 0.005 -Num Peaks: 6 - 55 35384; 70 28536; 71 8075; 83 3819; 97 7282; - 111 1038; - -Name: Unknown 64 -DB.idx: -64 -rt: 14.772 -Class: Unknown -rt.sd: 0 -Num Peaks: 15 - 39 6245; 41 15062; 43 28056; 53 3100; 55 11772; - 58 4765; 67 4548; 68 3250; 69 8216; 83 3158; - 93 2876; 108 9761; 109 998; 111 4259; 126 1182; - -Name: Unknown 65 -DB.idx: -65 -rt: 9.773 -Class: Unknown -rt.sd: 0.0022 -Num Peaks: 8 - 73 23168; 191 721; 193 924; 249 730; 251 1089; - 267 8418; 268 2546; 269 1610; - -Name: Unknown 66 -DB.idx: -66 -rt: 16.107 -Class: Unknown -rt.sd: 0.0026 -Num Peaks: 10 - 38 1278; 39 5959; 52 1471; 54 1662; 66 1690; - 93 1097; 94 3286; 121 20656; 122 12555; 123 1097; - -Name: Unknown 67 -DB.idx: -67 -rt: 1.681 -Class: Unknown -rt.sd: 0 -Num Peaks: 5 - 35 3223; 46 6771; 47 19032; 61 4652; 62 14718; - -Name: Unknown 68 -DB.idx: -68 -rt: 6.35 -Class: Unknown -rt.sd: 0.0025 -Num Peaks: 6 - 46 2304; 47 1915; 64 952; 79 4250; 94 7564; - 96 941; - -Name: Unknown 69 -DB.idx: -69 -rt: 28.54 -Class: Unknown -rt.sd: 0.0082 -Num Peaks: 5 - 50 1953; 51 2706; 77 5487; 105 4906; 122 4172; - -Name: Unknown 70 -DB.idx: -70 -rt: 10.331 -Class: Unknown -rt.sd: 0 -Num Peaks: 6 - 67 2898; 68 3171; 79 1643; 80 535; 93 2551; - 121 693; - -Name: Unknown 71 -DB.idx: -71 -rt: 23.375 -Class: Unknown -rt.sd: 0.0077 -Num Peaks: 10 - 42 19992; 43 41728; 44 60024; 54 2760; 55 14966; - 59 55880; 83 29088; 84 5062; 104 3340; 111 1799; - -Name: Unknown 72 -DB.idx: -72 -rt: 19.431 -Class: Unknown -rt.sd: 0.0046 -Num Peaks: 8 - 43 37792; 55 8653; 59 3950; 71 8231; 87 9385; - 88 16616; 116 5629; 152 1533; - -Name: Unknown 73 -DB.idx: -73 -rt: 18.89 -Class: Unknown -rt.sd: 0.0019 -Num Peaks: 10 - 39 6634; 51 2112; 53 5332; 65 1901; 67 3706; - 68 2446; 79 2948; 81 21480; 82 2063; 110 3070; - -Name: Unknown 74 -DB.idx: -74 -rt: 16.621 -Class: Unknown -rt.sd: 0.0046 -Num Peaks: 6 - 42 16992; 52 1363; 80 1094; 81 3657; 121 3035; - 122 15381; - -Name: Unknown 75 -DB.idx: -75 -rt: 4.871 -Class: Unknown -rt.sd: 0.0043 -Num Peaks: 8 - 77 1933; 79 1479; 80 696; 91 2494; 92 2563; - 93 6290; 97 1340; 121 687; - -Name: Unknown 76 -DB.idx: -76 -rt: 26.543 -Class: Unknown -rt.sd: 0.0042 -Num Peaks: 27 - 34 873; 37 5160; 38 10876; 39 75120; 40 23392; - 41 168000; 42 216640; 43 194240; 44 19136; 49 1081; - 50 5031; 51 6820; 52 6564; 53 11846; 54 16062; - 55 113368; 56 45456; 58 20848; 68 8387; 70 70072; - 71 32624; 81 2986; 82 6637; 98 66552; 99 358784; - 100 22944; 101 1811; - -Name: Unknown 77 -DB.idx: -77 -rt: 21.336 -Class: Unknown -rt.sd: 0.0052 -Num Peaks: 57 - 37 1762; 38 4149; 39 45912; 40 10100; 41 101384; - 42 24760; 43 188608; 44 11271; 45 14933; 49 1024; - 50 4455; 51 6470; 52 2867; 53 18296; 54 8838; - 55 58168; 56 122136; 57 50072; 58 99160; 59 14146; - 63 1062; 65 3140; 66 1321; 67 15114; 68 17552; - 69 37416; 70 22688; 71 226624; 72 20648; 77 3079; - 79 3851; 80 913; 81 11450; 82 6495; 83 3289; - 84 28784; 85 80680; 86 8077; 87 7288; 93 2543; - 95 116288; 96 9813; 97 18256; 99 4363; 100 6846; - 109 2516; 110 66224; 111 7536; 112 2475; 113 10898; - 114 832; 123 1617; 125 1099; 128 44704; 129 3917; - 140 733; 156 3370; - -Name: Unknown 78 -DB.idx: -78 -rt: 1.539 -Class: Unknown -rt.sd: 0.0027 -Num Peaks: 5 - 41 18320; 42 30264; 43 96280; 44 175872; 71 5191; - -Name: Unknown 79 -DB.idx: -79 -rt: 3.856 -Class: Unknown -rt.sd: 0.005 -Num Peaks: 19 - 37 1496; 38 3323; 39 25816; 40 4451; 41 58112; - 42 18944; 44 131200; 45 17200; 50 2820; 51 2634; - 52 909; 53 4564; 55 9369; 57 56040; 58 51176; - 67 2231; 68 1267; 71 4428; 85 2075; - -Name: Unknown 80 -DB.idx: -80 -rt: 9.59 -Class: Unknown -rt.sd: 0 -Num Peaks: 9 - 38 1147; 39 7072; 50 915; 53 3684; 57 91800; - 58 4287; 59 2754; 67 2405; 68 2017; - -Name: Unknown 81 -DB.idx: -81 -rt: 1.835 -Class: Unknown -rt.sd: 0.0027 -Num Peaks: 5 - 37 3251; 38 3725; 57 26000; 58 91472; 59 3480; - -Name: Unknown 82 -DB.idx: -82 -rt: 25.149 -Class: Unknown -rt.sd: 0.0059 -Num Peaks: 55 - 39 13048; 41 26008; 43 52064; 51 5166; 52 2079; - 53 6989; 55 18096; 60 42016; 61 5468; 63 2229; - 65 4990; 67 4048; 68 1801; 69 7099; 70 5910; - 71 6618; 73 24528; 77 13327; 78 3002; 79 13280; - 80 1774; 81 4542; 83 2732; 84 2345; 87 10928; - 88 5885; 91 14913; 93 9365; 95 7327; 96 1669; - 101 3775; 102 694; 105 8665; 107 11170; 109 4780; - 115 3417; 116 1690; 119 5552; 121 7269; 122 5696; - 129 1682; 131 2352; 133 5886; 134 1347; 135 10330; - 136 2725; 144 1203; 147 1465; 149 5619; 159 3219; - 162 2148; 163 737; 177 72744; 178 9094; 192 2312; - -Name: Unknown 83 -DB.idx: -83 -rt: 24.011 -Class: Unknown -rt.sd: 0.0055 -Num Peaks: 16 - 53 4710; 65 1762; 66 3244; 67 6272; 79 3060; - 80 899; 81 15255; 82 2946; 95 29704; 96 3518; - 97 4416; 98 5238; 104 1486; 111 3146; 123 1175; - 154 636; - -Name: Unknown 84 -DB.idx: -84 -rt: 25.326 -Class: Unknown -rt.sd: 0.0043 -Num Peaks: 16 - 38 2086; 39 7881; 52 2800; 53 4601; 55 11121; - 66 11622; 69 3875; 71 9009; 80 1160; 84 4865; - 94 22680; 97 5436; 109 17560; 111 2595; 126 20216; - 127 1557; - -Name: Unknown 85 -DB.idx: -85 -rt: 21.652 -Class: Unknown -rt.sd: 0.0059 -Num Peaks: 17 - 65 2127; 67 7430; 77 3782; 79 4142; 81 7575; - 91 4626; 93 2850; 94 1628; 95 4707; 107 3144; - 109 8172; 119 2064; 123 7560; 137 9572; 151 1039; - 152 8226; 153 922; - -Name: Unknown 86 -DB.idx: -86 -rt: 8.182 -Class: Unknown -rt.sd: 0.0051 -Num Peaks: 5 - 39 6052; 53 2158; 55 9398; 83 4878; 84 3889; - -Name: Unknown 87 -DB.idx: -87 -rt: 16.837 -Class: Unknown -rt.sd: 0 -Num Peaks: 8 - 65 1470; 66 1131; 67 7522; 93 763; 95 4282; - 96 911; 109 1473; 124 2052; - -Name: Unknown 88 -DB.idx: -88 -rt: 5.355 -Class: Unknown -rt.sd: 0.006 -Num Peaks: 6 - 38 1373; 39 7330; 63 771; 65 1045; 91 7439; - 92 4675; -