annotate test-data/W4M0004_database_small.msp @ 4:c10824185547 draft

planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
author workflow4metabolomics
date Wed, 03 Jul 2019 05:14:32 -0400
parents
children b8d4129dd2a6
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c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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1 Name: Citric acid, 4TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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2 DB.idx: 2
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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3 rt: 26.388
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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4 Class: Standard
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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5 std.rt: 0.0033
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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6 Num Peaks: 306
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7 51 182440; 53 944503; 54 369474; 55 3340984; 56 631621;
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22 132 3406929; 133 29688000; 134 3878467; 135 3072204; 136 413006;
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24 143 8684138; 144 1819458; 145 4017967; 147 200837440; 148 29891264;
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25 149 28219728; 150 3469614; 151 1890352; 152 194516; 153 184777;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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26 154 171885; 155 717771; 156 729191; 157 3387463; 158 683504;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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30 175 1162607; 177 1041603; 178 243870; 179 377563; 180 324557;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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31 182 1305937; 183 27886152; 184 4401348; 185 7408749; 186 1038060;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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32 187 786083; 188 401997; 189 4074698; 190 3681600; 191 3506198;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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33 192 885480; 193 893802; 194 185169; 195 195338; 197 222142;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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34 199 379028; 200 277582; 201 2348285; 202 664572; 204 2617974;
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36 211 35582544; 212 5146030; 213 6219443; 214 1188770; 215 6843221;
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38 221 22020056; 222 4667719; 223 2630114; 224 450357; 225 222471;
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39 227 321331; 228 605520; 229 7752264; 230 2139958; 231 13207040;
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40 232 2678220; 233 1425499; 234 292451; 237 131952; 239 47218;
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41 241 772176; 242 241267; 243 1180683; 244 1826076; 246 547409;
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42 247 349477; 249 106869; 251 127714; 253 153743; 254 399694;
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43 256 828341; 257 25474552; 258 5060000; 259 4993330; 260 1024075;
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44 261 759800; 262 276370; 265 397890; 266 621849; 268 771479;
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47 284 269838; 285 7507309; 286 1649268; 287 2266290; 288 469174;
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48 289 339176; 290 165024; 291 886445; 293 353391; 294 129756;
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49 296 83259; 298 101716; 300 312634; 301 4634309; 302 1178072;
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50 303 6680037; 304 2008316; 305 18700928; 306 4777002; 307 2634742;
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51 308 582534; 309 184632; 310 55438; 312 32086; 315 109997;
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52 317 336618; 319 5065135; 320 1389835; 321 820766; 322 188908;
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54 331 1980360; 332 700647; 333 3553830; 334 1063468; 335 790802;
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55 336 257548; 337 116973; 339 165717; 340 137253; 342 233788;
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58 357 231845; 359 284379; 361 1354809; 363 38959616; 364 11115190;
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59 365 5293770; 366 1376448; 367 333629; 368 188373; 370 189815;
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60 371 412929; 373 1387569; 375 45273392; 376 12240300; 377 6837263;
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61 378 1440693; 379 458045; 380 104829; 381 58155; 387 34207;
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62 389 131643; 390 55505; 393 289278; 395 100446; 396 18685;
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63 403 102555; 404 31421; 407 15187; 411 12178; 413 12653;
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64 414 19622; 417 12879; 419 46053; 421 949864; 422 340572;
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66 431 16140; 434 20631; 435 53956; 437 537166; 438 190598;
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67 439 54183; 441 29758; 442 26876; 445 20469; 447 69016;
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68 449 29707;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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69
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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70 Name: D-Mannitol, 6TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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71 DB.idx: 3
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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72 rt: 28.581
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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73 Class: Standard
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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74 std.rt: 0.003
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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75 Num Peaks: 262
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76 53 489021; 54 603836; 55 1296110; 56 240694; 57 468516;
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77 58 1361419; 59 5385271; 60 600415; 61 685447; 62 50899;
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78 65 174941; 66 248563; 67 561571; 68 202305; 69 1974377;
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80 76 710141; 77 300001; 80 54665; 81 355840; 82 176784;
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82 90 497114; 91 285900; 95 120202; 97 713272; 98 146347;
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83 99 711382; 101 4995195; 102 1762743; 103 64609360; 104 5672787;
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88 130 2295043; 131 6536466; 132 1402198; 133 13981890; 134 1920767;
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89 135 1164582; 136 118026; 137 53848; 139 103647; 140 100626;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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90 141 453872; 142 406374; 143 3158339; 144 879780; 145 1935140;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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parents:
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91 147 88314448; 148 12980806; 149 8111785; 150 848425; 151 351179;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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92 152 65879; 153 186902; 155 868440; 156 309854; 157 12564018;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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93 158 1721358; 159 1213086; 160 317166; 161 858421; 162 224029;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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94 163 1522743; 164 248014; 165 133909; 166 42349; 167 236123;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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95 168 86281; 169 748510; 170 134870; 173 397155; 175 2126834;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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96 176 496778; 177 1031212; 178 163224; 180 67632; 182 92776;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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97 183 1707552; 184 290498; 185 213669; 186 145851; 187 362782;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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98 189 14265610; 190 3334795; 191 10874944; 192 1982930; 193 978937;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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99 194 161031; 195 110337; 196 86552; 198 139329; 200 309133;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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100 202 1073601; 203 2944374; 204 19011368; 205 82549168; 206 15710668;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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101 207 7684245; 208 1216334; 209 396316; 210 122731; 212 226475;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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102 214 446517; 215 1138772; 217 66903880; 218 13724390; 219 6002931;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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103 220 973671; 221 4195529; 222 994733; 223 519330; 224 117799;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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104 225 83667; 227 155589; 229 9024550; 230 2892646; 231 5139250;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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105 232 1026520; 233 422174; 234 82288; 235 69769; 237 90457;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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106 239 282353; 240 85068; 241 115747; 242 73554; 243 745250;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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107 244 164620; 245 184520; 246 49977; 247 378678; 248 110875;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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108 249 124905; 250 30936; 252 33418; 253 66438; 255 2899335;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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109 256 617506; 257 711078; 258 221966; 259 1399072; 260 235165;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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110 261 144602; 263 106175; 264 59417; 265 831259; 266 224676;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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111 267 154944; 268 30759; 269 20210; 273 444190; 275 137822;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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112 276 175522; 277 4996696; 278 2117230; 279 982094; 280 237657;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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113 281 97465; 287 47318; 289 202094; 290 244552; 291 5639959;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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114 292 1397171; 293 931032; 294 179439; 295 78835; 298 51134;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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115 301 108168; 303 311611; 305 4350360; 306 2591483; 307 14266974;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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116 308 4204298; 309 1959673; 310 458569; 311 271616; 312 183307;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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117 314 284851; 316 420639; 317 1486094; 319 78401344; 320 21270632;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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118 321 11243118; 322 2039251; 323 484601; 324 92056; 326 19785;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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119 328 40054; 329 438089; 331 3609429; 332 1063426; 333 660463;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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120 334 153796; 335 61812; 339 28388; 341 35995; 343 120905;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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121 344 208815; 345 3986655; 346 1172157; 347 655510; 348 153401;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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122 351 25811; 352 13535; 365 31026; 367 10102; 379 67096;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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123 381 33640; 389 22046; 391 30400; 393 119966; 394 33212;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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124 396 18310; 400 5837; 405 77535; 406 46138; 408 125573;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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125 409 218684; 410 114425; 412 27373; 413 16752; 415 21547;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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126 416 33894; 418 169601; 419 1340052; 420 448050; 421 2000738;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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127 422 712163; 423 384997; 424 100122; 425 22736; 434 213261;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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128 435 116595; 437 17236;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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129
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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130 Name: Ribitol, 5TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
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131 DB.idx: 4
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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132 rt: 24.487
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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133 Class: Standard
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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134 std.rt: 0.0029
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
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135 Num Peaks: 236
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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136 53 484493; 54 695945; 55 1354523; 56 372585; 57 610381;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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137 58 1975838; 59 7252890; 60 668667; 61 963183; 62 72158;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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138 65 178088; 66 238174; 67 312221; 68 146657; 69 1435704;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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139 70 890902; 71 1214900; 73 255794624; 74 20569848; 75 11930560;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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140 76 582087; 77 282835; 80 72942; 81 671319; 82 82562;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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141 83 362420; 84 126711; 85 414737; 87 957419; 88 1077919;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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142 89 4848651; 90 433900; 91 257674; 97 193608; 98 131995;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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143 99 640310; 101 5368499; 102 2584083; 103 72645264; 104 6655121;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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144 105 2919377; 106 179462; 107 48313; 109 52486; 111 353703;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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145 112 101412; 113 1200254; 114 258895; 115 1323592; 116 3110454;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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146 117 24488592; 118 2549635; 119 2054881; 120 203949; 121 120934;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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147 122 33489; 124 40536; 125 138383; 126 152196; 127 897757;
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148 129 30013736; 130 3822753; 131 7478347; 132 1578588; 133 14029076;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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149 134 2046375; 135 1186150; 136 141997; 137 57765; 140 71928;
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150 141 300436; 142 432039; 143 1706118; 144 725914; 145 1764077;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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151 147 71203504; 148 10585450; 149 6415062; 150 663526; 151 262683;
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152 152 76693; 153 168524; 154 120303; 155 751945; 156 277354;
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153 157 3698883; 158 496059; 159 634273; 160 225394; 161 891534;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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154 162 190709; 163 1260574; 164 184724; 165 133548; 166 26235;
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155 167 30928; 168 59514; 169 194652; 170 275725; 171 523991;
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156 172 122156; 173 305348; 175 2034812; 176 419662; 177 963719;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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157 178 185496; 180 40423; 182 40329; 184 64191; 185 148608;
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158 187 424373; 189 19608960; 190 4169419; 191 8217653; 192 1331597;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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159 193 722696; 194 123073; 195 97000; 197 67561; 199 133355;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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160 201 710567; 202 769633; 203 6313788; 204 19501856; 205 45589056;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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161 206 10053682; 207 4957748; 208 871344; 209 313261; 210 128501;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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162 212 207396; 213 492787; 215 1178587; 217 83926624; 218 21027104;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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163 219 8168478; 220 1495561; 221 3520077; 222 748968; 223 438519;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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164 224 69651; 225 32784; 226 44573; 228 124672; 229 2696097;
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165 230 808218; 231 473556; 232 105721; 233 81117; 235 37729;
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166 237 125020; 239 40038; 241 82929; 242 510099; 243 5776061;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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167 244 1290901; 245 749023; 246 155798; 247 140347; 249 62978;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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168 250 25293; 259 37885; 261 36487; 263 65913; 265 241633;
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169 266 79524; 268 13885; 270 15597; 275 76731; 276 208947;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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170 277 5627728; 278 1796354; 279 908796; 280 209689; 281 80821;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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171 284 17164; 287 24199; 288 71808; 290 112614; 291 2248012;
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172 292 705207; 293 350712; 294 103196; 295 54410; 296 36674;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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173 298 42352; 299 67719; 301 95693; 303 198499; 305 1025345;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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174 306 1572839; 307 16053446; 308 4145689; 309 2136510; 310 399656;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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175 311 153824; 312 84201; 314 101310; 316 201500; 317 2286832;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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176 319 23224272; 320 6035760; 321 2978486; 322 616268; 323 181505;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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177 324 35519; 325 15085; 327 21162; 329 26325; 331 323828;
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178 332 3879571; 333 1256885; 334 582695; 335 165122; 336 50279;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
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diff changeset
179 351 28408; 352 20247; 379 18548; 392 27989; 394 30369;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
180 395 443709; 396 172252; 398 38565; 399 12520; 406 22851;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
181 407 145834; 409 48566; 410 24846; 412 13975; 415 9077;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
182 418 13964; 420 20502; 422 778569; 423 260681; 425 51067;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
183 427 4882;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
184
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
185 Name: Glycine, 3TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
186 DB.idx: 5
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
187 RI: 1302.682
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
188 monoMW: 291.610
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
189 rt: 13.965
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
190 std.rt: 0.0033
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
191 Class: Standard
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
192 Num Peaks: 78
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
193 57 316293; 58 608407; 59 2360607; 60 298845; 61 196310;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
194 70 169295; 71 161384; 72 648791; 73 11721138; 74 1113027;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
195 85 170795; 86 3075416; 87 384461; 88 151265; 95 64802;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
196 99 95625; 100 1618532; 101 371473; 102 194300; 103 154892;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
197 104 33778; 105 72042; 108 20644; 111 54647; 113 112766;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
198 114 101832; 115 180609; 116 342635; 117 921701; 118 169096;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
199 119 269557; 129 117830; 130 783824; 131 770438; 132 312290;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
200 133 1900199; 134 283305; 135 157747; 136 23715; 144 263144;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
201 145 119829; 146 281312; 147 4791240; 148 776758; 149 430714;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
202 150 54306; 158 362993; 159 154663; 170 31401; 171 108378;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
203 173 580616; 174 23638072; 175 4238967; 176 1802790; 177 316308;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
204 178 67581; 187 34267; 190 57883; 200 15557; 202 110221;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
205 203 40215; 204 134875; 222 19873; 246 373925; 247 132834;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
206 248 4524339; 249 1128021; 250 573219; 251 111802; 252 35632;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
207 271 12788; 274 10361; 275 53846; 276 1041597; 277 299864;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
208 278 137402; 279 34431; 367 3442;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
209
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
210 Name: Pyroglutamic acid, 2TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
211 DB.idx: 6
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
212 RI: 1650.417
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
213 Formula: C11H23NO3Si2
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
214 MW: 273.477
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
215 rt: 19.513
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
216 std.rt: 0.0035
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
217 Class: Standard
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
218 Num Peaks: 158
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
219 51 338626; 52 575985; 53 464956; 54 649153; 55 3336412;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
220 56 1197195; 57 2169449; 58 6685191; 59 9081136; 60 1387309;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
221 61 2428274; 62 213258; 63 127195; 65 267956; 66 3568313;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
222 67 2222624; 68 882858; 69 747738; 70 2193333; 71 1770608;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
223 72 7657516; 73 113430768; 74 9750386; 75 13061012; 76 825056;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
224 77 513625; 78 129935; 80 363843; 81 191640; 82 453511;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
225 83 600419; 84 2544426; 85 1796955; 86 2593790; 87 747021;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
226 88 229333; 89 215309; 91 82213; 92 154229; 93 1177171;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
227 96 309636; 97 359461; 98 945628; 99 1302033; 100 1977416;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
228 101 558275; 102 493025; 103 670440; 104 122758; 105 306067;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
229 106 78328; 107 721315; 109 119460; 110 547214; 111 389326;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
230 112 2669136; 113 919493; 114 1247351; 115 1018669; 116 429096;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
231 117 1634510; 118 277347; 119 446610; 120 209026; 121 3778822;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
232 122 441514; 124 186464; 125 92720; 126 589470; 127 446490;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
233 128 450712; 129 602449; 130 380558; 131 2567815; 132 768139;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
234 133 4538595; 134 605705; 135 383039; 136 55065; 138 106476;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
235 139 362925; 140 3322479; 141 1187929; 142 1007454; 143 317329;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
236 144 285466; 146 817699; 147 27946976; 148 4395199; 149 2777617;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
237 150 359788; 151 264840; 153 538648; 154 2958055; 156 201537792;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
238 157 26263368; 158 8572482; 159 854704; 161 112709; 165 38838;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
239 167 53444; 168 412158; 169 96591; 170 320590; 171 96076;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
240 172 334429; 173 104039; 174 482205; 175 165478; 182 63170;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
241 183 127405; 184 123256; 185 90504; 186 274650; 187 72726;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
242 190 334303; 191 105635; 192 41986; 196 24884; 198 104267;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
243 200 45080; 202 55194; 210 20123; 213 169498; 214 1336902;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
244 215 313400; 216 197429; 218 125726; 222 29111; 224 27879;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
245 225 68702; 227 103301; 228 1116292; 229 647341; 230 16641732;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
246 231 3538093; 232 1781749; 233 280558; 240 33947; 242 43021;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
247 245 77511; 252 25529; 254 51583; 255 116747; 257 292195;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
248 258 16611026; 259 3425137; 260 1449116; 261 234399; 271 21809;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
249 272 77604; 273 680847; 274 170001; 275 63615; 343 5275;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
250 346 77810; 348 24720; 420 13841;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
251
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
252 Name: Alanine, 3TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
253 DB.idx: 7
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
254 RI: 1360.504
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
255 Formula: C12H31NO2Si3
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
256 MW: 305.637
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
257 rt: 15.323
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
258 std.rt: 0.0026
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
259 Num Peaks: 124
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
260 54 89758; 55 274561; 56 190979; 57 472743; 58 1227701;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
261 59 8857202; 60 769050; 61 572383; 62 41693; 66 257757;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
262 68 50951; 70 467827; 71 357812; 72 1124052; 73 32258304;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
263 74 2673357; 75 2422084; 76 175458; 83 38410; 85 188547;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
264 86 367416; 87 252086; 88 60319; 94 41086; 96 32723;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
265 97 50677; 99 486943; 100 17472112; 101 1900147; 102 851052;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
266 103 361559; 105 143712; 106 17498; 107 26854; 111 34681;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
267 113 423231; 114 5383496; 115 1162939; 116 1080783; 117 1237291;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
268 118 240515; 119 435711; 121 43187; 125 15819; 128 174405;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
269 129 397688; 130 1744641; 131 1822916; 132 670119; 133 4839524;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
270 134 728488; 135 340438; 136 57257; 138 43976; 142 153189;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
271 143 64000; 144 108296; 146 293959; 147 10561822; 148 1491760;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
272 149 856234; 150 102563; 151 32670; 158 1009756; 159 218614;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
273 161 120212; 163 22096; 171 75896; 172 1056407; 173 301283;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
274 174 505863; 175 574319; 176 121867; 177 65048; 178 19944;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
275 180 22252; 182 39229; 184 102108; 185 246171; 187 618870;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
276 188 56198912; 189 10817010; 190 4731210; 191 1271570; 192 244376;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
277 194 20138; 197 17281; 199 14019; 200 191429; 201 75657;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
278 202 675342; 203 169524; 204 283190; 205 89690; 206 59625;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
279 216 134127; 221 102289; 222 29042; 224 7100; 232 122504;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
280 246 584093; 247 167296; 248 76389; 255 19200; 256 20821;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
281 259 85913; 261 123873; 262 9276494; 263 2565833; 264 1229448;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
282 265 215056; 266 50202; 275 20541; 276 49840; 277 30086;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
283 279 9403; 286 9243; 288 59278; 290 1507066; 291 370236;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
284 292 225705; 293 58740; 305 25278; 306 8768;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
285
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
286 Name: Aspartic acid, 2TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
287 DB.idx: 8
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
288 RI: 1422.39
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
289 Formula: C10H23NO4Si2
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
290 MW: 277.465
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
291 rt: 17.071
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
292 std.rt: 0.0042
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
293 Num Peaks: 116
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
294 53 110556; 54 70748; 55 491989; 56 176719; 57 429061;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
295 58 867565; 59 1844082; 60 680229; 61 1783651; 62 153287;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
296 63 101630; 68 123735; 69 151943; 70 1623808; 71 339896;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
297 72 1895180; 73 30361752; 74 3806352; 75 9542434; 76 841470;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
298 77 445025; 83 92647; 84 134484; 85 157664; 87 326510;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
299 88 216697; 89 279460; 90 63265; 91 208179; 94 33994;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
300 97 52008; 98 185798; 99 316461; 100 1875360; 101 453860;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
301 102 861826; 103 388126; 104 99156; 105 69761; 107 25301;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
302 109 22961; 111 40850; 113 89550; 114 174059; 115 400852;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
303 116 8341494; 117 8393036; 118 1292305; 119 473023; 123 69069;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
304 126 81938; 127 106745; 128 686387; 129 693487; 130 9547276;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
305 131 1451533; 132 650288; 133 808761; 134 110943; 136 21502;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
306 142 86232; 143 144433; 144 1188715; 145 241754; 146 1021532;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
307 147 4643929; 148 865583; 149 641631; 150 89905; 151 34481;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
308 152 17594; 159 1417706; 160 23345888; 161 2689204; 162 1045742;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
309 163 83928; 170 49854; 172 332672; 173 99914; 187 144420;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
310 190 157941; 191 68491; 200 29189; 202 994060; 203 216078;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
311 204 126839; 216 88054; 217 155137; 220 834397; 221 158515;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
312 222 85032; 223 27191; 232 107424; 234 1972004; 235 400133;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
313 236 201912; 237 33541; 241 20022; 244 414185; 245 3084671;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
314 246 600419; 247 272617; 260 39656; 262 658881; 263 128316;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
315 264 69923; 272 7826; 277 37715; 278 29889; 304 11423;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
316 306 12021; 349 5670; 373 27527; 374 9346; 393 4740;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
317 442 2912;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
318
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
319 Name: Tryptamine, 2TMS
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
320 DB.idx: 9
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
321 RI: 2224.531
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
322 Formula: C16H28N2Si2
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
323 MW: 304.578
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
324 rt: 19.044
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
325 std.rt: 0.0032
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
326 Num Peaks: 125
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
327 53 103908; 54 92348; 55 359811; 56 220319; 57 234375;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
328 58 577937; 59 3625396; 60 353747; 61 203780; 65 56054;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
329 67 128907; 68 288905; 69 270065; 70 189689; 71 186419;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
330 73 10021682; 74 951360; 80 62629; 81 55492; 82 148023;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
331 83 168514; 84 247841; 85 394058; 86 4374601; 87 491924;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
332 88 246059; 89 759003; 90 111212; 91 59740; 94 122678;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
333 95 89278; 96 837410; 97 187069; 98 170686; 99 390831;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
334 100 1871628; 101 318302; 102 995646; 103 206161; 104 52138;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
335 109 26678; 110 48451; 112 304993; 113 209633; 114 416235;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
336 115 207144; 116 578060; 117 600612; 118 157353; 119 73966;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
337 124 36333; 126 232163; 127 179149; 128 708154; 129 522829;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
338 130 1250999; 131 462746; 132 216417; 136 14172; 139 26745;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
339 140 102888; 142 138543; 144 237406; 145 66218; 146 221104;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
340 150 26706; 151 32128; 152 81992; 153 61989; 158 328614;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
341 159 193798; 161 71597; 162 55797; 164 20330; 165 41274;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
342 167 134982; 168 3076559; 169 1236917; 170 382139; 171 175813;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
343 172 793755; 173 635083; 174 21999992; 175 3966143; 176 1668216;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
344 177 216481; 178 37373; 180 12735; 182 19976; 183 80285;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
345 184 197718; 185 82742; 186 972896; 187 221998; 190 263894;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
346 191 69447; 192 39714; 196 10899; 197 12167; 198 37741;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
347 199 62873; 200 203785; 201 477415; 202 156939; 213 29648;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
348 215 157180; 216 53881; 224 12789; 226 19959; 227 71824;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
349 240 19510; 241 100315; 242 61551; 253 33746; 256 52615;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
350 257 2699065; 258 663143; 259 242635; 260 53573; 273 158481;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
351 274 36775; 288 7723; 318 11318; 349 7175; 411 8416;
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
352
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
diff changeset
353
c10824185547 planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit 174a1713024f246c1485cbd75218577e89353522
workflow4metabolomics
parents:
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354