Compound Data Type Group1C Group1C Group1C Group1B Group1B Group1B Group1B Group1B Group1B Group2C Group2C Group2C Group2B Group2B Group2B Group2B Group2B Group2B Group3C Group3C Group3C Group3B Group3B Group3B Group3B Group3B Group3B Group4C Group4C Group4C Group4B Group4B Group4B Group4B Group4B Group4B Group5C Group5C Group5C Group5B Group5B Group5B Group5B Group5B Group5B Group6C Group6C Group6C Group6B Group6B Group6B Group6B Group6B Group6B Group7C Group7C Group7C Group7B Group7B Group7B Group7B Group7B Group7B 17March10-01-r001 17March10-01-r002 17March10-01-r003 17March10-02-r001 17March10-02-r002 17March10-02-r003 17March10-03-r001 17March10-03-r002 17March10-03-r003 17March10-04-r001 17March10-04-r002 17March10-04-r003 17March10-05-r001 17March10-05-r002 17March10-05-r003 17March10-06-r001 17March10-06-r002 17March10-06-r003 17March10-07-r001 17March10-07-r002 17March10-07-r003 17March10-08-r001 17March10-08-r002 17March10-08-r003 17March10-09-r001 17March10-09-r002 17March10-09-r003 17March10-10-r001 17March10-10-r002 17March10-10-r003 17March10-11-r001 17March10-11-r002 17March10-11-r003 17March10-12-r001 17March10-12-r002 17March10-12-r003 17March10-13-r001 17March10-13-r002 17March10-13-r003 17March10-14-r001 17March10-14-r002 17March10-14-r003 17March10-15-r001 17March10-15-r002 17March10-15-r003 17March10-16-r001 17March10-16-r002 17March10-16-r003 17March10-17-r001 17March10-17-r002 17March10-17-r003 17March10-18-r001 17March10-18-r002 17March10-18-r003 17March10-19-r001 17March10-19-r002 17March10-19-r003 17March10-20-r001 17March10-20-r002 17March10-20-r003 17March10-21-r001 17March10-21-r002 17March10-21-r003 C17 H8 O14 S2 raw intensity 37298 38070 36966 83810 79105 80092 52324 54592 56414 40476 40473 39654 66015 66808 68223 54460 59197 54684 252003 258797 263182 105772 101573 114988 97329 93750 95860 240522 243401 236265 161418 158797 167754 59182 65401 63096 113137 111334 113970 63058 65280 63306 116575 110346 103999 84824 83068 88734 59310 61627 61143 66835 67119 65246 625394 608882 595136 80001 79346 82245 69394 81094 82152 *399.9423*@0.7005938 raw intensity 1 1 4108 32499 31263 1 1 1 1 19969 1 1 1 1 30028 26027 28236 27243 28030 28047 29583 29877 1 32129 27375 1 27902 35083 1 35809 26210 1 1 1 1 1 159646 150570 160413 38793 37577 34520 39617 1 1 1 1 1 7372 1 1 1 7255 1 32699 32422 30531 24050 1 1 21021 1 1 *1020.9588*@0.70271426 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 2729 1 1 1 1 1 1 1 1 3429 1 1 1 4576 4960 4738 1 1 3183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *382.1774*@0.7067105 raw intensity 4278 1 1 1 1 1 10811 12385 11321 9799 1 1 1 6267 6824 8014 8992 1 9988 10214 11231 5763 1 5054 11030 8757 13244 8720 7372 6070 6051 3911 6566 1 6219 6520 1 1 1 9692 1 7918 7569 7076 1 10249 11600 9358 6918 6528 6676 10317 1 1 1 1 1 1 1 7646 1 1 8649 *1027.9657*@0.702 raw intensity 3608 3229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4154 3677 4233 25454 28307 28212 1 1 1 1 4748 4765 3529 4217 3558 1 1 1 6586 5540 6831 5484 5073 5926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H23 N3 S3 raw intensity 28570 30619 28622 14390 1 1 110649 1 1 1 1 1 16759 13913 14742 151133 154282 1 71481 71016 72281 34359 1 25595 1 1 1 55350 60955 52778 1 1 1 64199 68031 63027 91875 91462 89035 64051 65589 1 1 158993 1 90247 1 85322 1 64595 64897 1 1 1 1 19617 22774 1 49359 1 1 1 1 *298.0852*@0.7056362 raw intensity 18645 1 21136 80939 77617 81391 28400 36692 32172 77736 75222 69905 1 1 1 41288 42872 43246 89426 95746 97862 36538 29505 38655 76824 79227 76594 128534 131800 129448 109312 104699 111303 51680 57390 56900 64633 61553 60171 88394 88678 87285 70038 1 61763 61188 56345 62228 60770 61907 62146 116909 111881 114281 32429 40718 31353 96736 99479 106054 1 1 1 *332.0037*@0.70474994 raw intensity 9809 1 9382 9612 12409 1 1 1 1 1 1 1 1 3601 1 1 1 2678 1 1 1 1 1 1 10190 7763 8305 8283 6526 4978 4776 4310 5246 1 1 1 9246 8663 8949 5766 1 1 1 1 1 1 1 1 9367 11477 9947 1 6591 1 1 1 1 11496 9734 10533 6674 1 8870 *276.0806*@0.7054509 raw intensity 25049 24713 25771 1 22881 21087 63177 68911 67852 35052 32996 1 1 1 1 106130 111956 106873 72899 75256 72566 1 1 1 106057 108558 107294 57018 56417 53670 46523 46484 47549 1 1 1 49738 48256 49892 58012 59946 58458 103436 98069 1 64148 59580 63489 52278 53133 54836 73724 73925 75168 28220 28826 26269 61415 61210 66552 86754 101932 103247 *284.0653*@0.70884615 raw intensity 1 1 1 35346 37740 37929 1 1 1 50589 47900 45445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54493 58723 50529 1 52321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20809 20011 19286 1 1 1 1 1 1 *262.0641*@0.7099507 raw intensity 94505 89682 93010 183912 171949 179035 74587 70666 78898 92438 93216 91495 35903 29860 33301 143096 152725 141806 307047 317820 317599 50220 50859 56414 198976 205846 204098 215014 215400 208529 250719 242201 1 98737 100616 100777 171631 161687 167150 247243 248312 241478 157870 155048 1 236867 231902 241285 246584 251460 262160 102702 101740 99964 82536 79670 81073 234842 228383 238678 112814 131526 134657 C16 H8 Cl2 O3 raw intensity 22034 22503 21332 15271 13859 13611 43704 45940 43723 23556 22111 18326 19536 18729 15968 34168 36049 32284 18632 18999 19710 25726 20685 26445 70472 71148 69562 30747 28298 28196 21760 19821 23169 13100 12732 15285 22535 20715 21807 19198 15959 16547 35030 34904 30814 11413 14810 11937 12404 13073 11044 36552 34207 34779 14263 14183 15104 26388 23137 24562 42836 47728 48671 *256.1077*@0.71171427 raw intensity 1 1 1 1 1 1 1 155211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257084 240514 219649 1 1 1 199472 197400 1 1 1 1 1 1 1 270164 1 1 210579 203831 206238 1 254732 249550 1 223323 1 1 1 1 260319 1 1 1 1 1 *303.9697*@0.7148551 raw intensity 58707 56686 57012 88273 84110 88905 37739 40301 39493 44866 43397 42118 70194 68883 69405 32811 34001 30718 65195 69077 65007 63938 63015 71122 107261 105188 103398 68873 69836 65569 84200 79366 84191 25748 25394 25345 41672 40064 38843 55722 55041 54240 40230 39188 1 34984 38298 40045 42165 43370 42910 31490 32422 33671 30432 30099 28823 69912 66975 72315 40460 47450 49831 C15 H30 O2 raw intensity 1 1 1 1 1 1 1 9937 9900 1 1 1 1 1 1 1 18911 18741 8761 9898 10010 1 1 1 8287 7613 7757 1 1 8686 10048 1 1 10924 1 1 11344 10771 10612 6239 6477 1 45700 1 43758 6854 1 7551 1 3323 1 20837 1 20213 1 1 1 7209 1 7813 16257 1 1 *270.0447*@0.72080004 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57452 52822 61096 69742 1 1 1 1 1 1 1 1 1 1 56234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *484.1896*@0.721 raw intensity 1 1 1 1 1 1 1 801671 806800 1 1 1 1 1 1 1 1 1213103 1 736589 740556 279752 1 1 663564 1 1 1 748537 738544 1 1 1 1 849469 1 1 1 851704 1 1 1 1 2167968 1 1 1 1 1 365358 374167 1 1 1 1 166209 156685 1 1 643706 1 1 1365719 *408.7513*@0.72025 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9913 1 1 1 1 1 1 1 1 8593 11689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *245.9143*@0.7221452 raw intensity 238190 234818 229701 283609 280932 277023 235110 240667 234695 246783 245431 244356 218690 1 215353 201389 209288 207575 1140197 1151984 1156294 508981 504272 527115 585464 581464 571355 957249 953144 940752 451863 442112 462656 170148 169702 168067 523314 507479 511142 276473 277469 275211 253500 250704 244345 342321 336019 369514 265083 270087 267324 245713 243698 241140 218064 217188 216373 412311 401685 363631 371700 474138 475445 *251.907*@0.7222962 raw intensity 1 3925 1 1 4808 1 1 1 1 1 1 1 1 1 1 1 1 1 16970 16166 16788 7445 6593 7858 8810 8725 7962 12794 14153 12947 6403 6338 1 1 1 1 6962 7268 7341 1 1 1 1 1 1 5415 5575 5755 1 1 1 1 1 1 1 1 1 1 5864 6137 5771 6322 6175 *501.2182*@0.7240285 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2603 6095 6106 6023 1 1 1 1 1 1 3913 4110 3985 6993 6346 7111 6136 5525 6100 7970 7111 7531 8430 8242 7095 12933 11887 9516 6225 5495 5192 2398 2435 1 4448 5144 5040 1 1 1 2991 3226 2733 3278 3298 1 *189.9943*@0.72731584 raw intensity 1 1 1 126895 111095 126846 1 1 84104 1 1 1 80733 87625 89836 1 1 1 1 1 1 1 1 1 1 1 1 103929 103068 85064 1 1 1 1 1 1 1 1 1 91602 95810 95909 1 1 1 1 1 1 276997 499212 285557 120735 122008 120563 1 1 1 1 1 1 1 1 1 *228.2065*@0.7263333 raw intensity 11455 1 1 10876 10377 11018 1 14937 1 1 6513 1 1 1 1 1 1 1 1 71210 71997 10826 11785 13697 16326 16190 15095 1 44587 43491 81900 77491 83359 36688 1 1 46550 41526 1 1 47781 46432 1 85843 83419 46525 1 46269 21283 21666 1 1 33460 1 1 1 5833 37713 37361 1 1 40577 42345 *228.0798*@0.72850007 raw intensity 1 851006 1 1 809041 842285 905679 914621 903158 1 547953 542807 191890 253269 179497 1 1 1602174 2701936 1 1 852706 825169 904012 1 1 970370 2065832 2087560 2051701 1 1 3078288 1 1766131 1 2100074 2039700 2069885 2171957 1 1 1 3148302 1 1 2076342 2139131 1 1 1 1760616 1658245 1666235 465749 528274 1 1802923 1742384 1805078 1448910 1826225 1906878 *1149.079*@0.7281054 raw intensity 5878 5500 6334 5464 5893 5759 8831 8825 8666 5733 5164 6164 1 1 1 10595 10545 11633 14333 13703 13792 4419 3561 4243 5577 4337 6101 19687 8563 8391 12940 12711 12528 15157 15610 16848 15253 15923 16628 16751 17811 16942 28319 28776 28418 19347 21058 20694 15353 12455 16428 20334 19452 22388 1 1 1 20787 20101 19879 20819 17747 16500 *205.9995*@0.728 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *303.0678*@0.728 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *204.0083*@0.73185486 raw intensity 170885 168620 166802 28009 26899 25272 29932 1 35124 124102 119362 120032 38408 29015 28728 33937 49392 38107 203417 196819 209188 146213 142542 158006 93186 89251 90183 66783 85583 59330 78042 74878 80530 35917 37525 38078 57230 54790 55457 146518 155286 152006 202136 201927 197115 383140 370761 389867 227073 231307 229234 109016 107541 104639 191435 192468 191025 332503 322024 339513 182791 209275 196854 Quinol raw intensity 15101 15591 13053 24890 24281 24559 15015 17260 18221 1 1 4850 17800 18005 17532 11717 16097 12273 21175 21341 21314 14140 13563 15571 10966 12175 16918 21709 22507 21887 24514 25196 24227 10839 11406 1 12809 11986 13057 20344 20723 19027 14820 14567 13463 6952 1 8808 75852 72884 74456 30121 33142 28631 14960 15238 15744 16717 19943 16550 16577 19680 18515 *124.0518*@0.729 raw intensity 1 1 1 1 1 1 1 1 1 9127 9542 8373 1 1 1 1 1 1 1 1 1 1 11119 11332 7178 7441 6055 4760 1 7446 1 1 1 1 1 1 1 1 1 1 10253 11377 17518 1 15080 33352 29582 32315 1 20177 1 1 10730 1 14721 15682 16188 28026 28445 28824 15125 19104 18026 *265.8935*@0.7303333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41513 1 1 1 1 1 1 1 26884 23652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *309.8456*@0.7318182 raw intensity 1 1 1 1 1 1 1 5546 1 1 1 1 1 1 1 1 1 1 66660 68963 66540 35077 32341 1 35064 1 34875 62489 62665 54438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *379.1038*@0.7345 raw intensity 1 1 1 1 1 1 1 1 1 4821 2609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4087 1 5073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3554 3285 *248.0498*@0.73099995 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9734 1 1 1 1 1 1 1 1 10873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *221.9476*@0.7350478 raw intensity 39741 41027 38719 81256 78985 73047 64479 64028 66602 82024 80984 76964 122215 121460 120026 86804 88686 87618 168597 167568 169822 68402 67373 72525 73396 74678 75629 141014 142233 136460 104500 103228 105259 39884 38238 39113 81099 79599 79582 58339 59568 59275 55424 54097 52823 65566 62834 62387 74038 74836 75273 66753 65183 65456 46388 45843 43882 68396 67116 70804 62805 83795 87469 *200.8122*@0.73599994 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 44959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10665 1 1 1 1 1 1 1 1 1 1 1 103646 1 1 1 *428.1278*@0.73728573 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291439 1 1 1 1 1 1 1 1 1 1 1 1 560193 1 762921 791773 331728 1 1 1 1 1 1 1 1 1 1 435621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498682 *664.1645*@0.74 raw intensity 1 1 1 1 1 1 1 1 1 3402 4040 1 1 3458 1 1 1 1 1 1 2814 1 1 1 1 3489 1 2997 1 2886 4268 3800 3732 1 1 1 1 2721 2940 1 3780 3226 1 1 1 1 1 1 3138 3141 3536 1 1 1 1 1 1 1 1 1 1 1 1 *360.0921*@0.73842853 raw intensity 1 1 4982 1 1 1 5694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 1 1 1 1 6569 1 7871 1 1 1 1 1 1 1 7952 8007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *428.3776*@0.7398889 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10129 1 1 1 1 1 1 1 1 9078 1 12272 12838 1 3763 1 1 6456 5804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5827 1 1 1 1 7325 *260.1059*@0.74532557 raw intensity 138737 153490 148423 1 153488 1 1 231191 146962 1 1 1 1 1 1 321849 331490 262096 655955 685270 690757 143734 142740 157306 1 1 1 1 1 338997 550866 532427 1 284445 280392 1 1 1 399760 451825 1 457463 862323 619340 823980 468181 466258 478491 215249 237428 233459 296855 373853 1 76920 78691 78657 332189 326641 335756 300606 354291 419647 *485.6619*@0.74142855 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5833 7703 1 7940 5536 1 1 1 1 1 1 1 1 1 1 7014 7636 1 1 1 1 1 1 1 1 1 1 17117 1 1 1 1 1 1 1 *246.09*@0.75315005 raw intensity 46964 40218 51510 1 149458 115818 112426 152055 146480 99109 94916 97470 1 1 1 1 1 1 428804 1 449932 1 1 1 1 1 1 1 409723 344987 537450 516588 564230 1 205534 212615 1 1 1 226228 478324 464867 423195 478037 442672 391063 188199 278610 200208 217029 210321 127625 1 126994 108853 1 106631 1 1 189020 148600 231613 339987 *403.0707*@0.7486667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57574 57796 65158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *212.0309*@0.75949997 raw intensity 1 1 1 1 1 1 1 12227 1 1 1 1 1 10713 1 23893 39481 1 1 1 1 1 1 1 1 1 1 1 1 11009 1 1 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26681 25094 1 1 1 1 1 1 *1151.0593*@0.75 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11727 10519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *449.1207*@0.74899995 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3738 3988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *418.0797*@0.75533324 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9501 11168 8656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *435.0943*@0.764 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7280 1 1 1 1 1 6595 3747 1 1 1 1 1 1 1 1 1 1 1 1 1 5954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *369.9781*@0.761 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6312 7313 1 1 1 1 1 1 1 1 1 1 1 5929 7136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *594.0986*@0.76 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *766.0536*@0.76274997 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 2688 1 1 1 1 1 1 1 1 1 2653 1 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *202.029*@0.7593778 raw intensity 1 29273 17785 36441 38497 37737 27542 26107 27626 16412 17159 17772 1 1 9474 1 14816 1 49375 1 51229 27685 27152 27343 1 24270 1 1 57776 55734 1 13550 1 27609 36173 29029 61786 69504 57938 1 1 1 32502 34699 37499 22481 22767 21919 21588 24072 1 59192 31170 33618 7657 1 8707 13276 13811 1 17465 23567 1 *817.15*@0.76663405 raw intensity 1 1 1 1 1 1 1 1 1 1 2912 2820 6254 6022 6109 8235 8667 7019 27657 27754 27379 19775 19040 20636 23213 23118 24209 15864 16451 14381 12461 13074 9381 1 1 1 1 1 1 15198 15840 16253 14326 15360 13202 21906 20829 22037 1 1 1 1 1 1 12394 12564 12336 25825 24862 23221 14162 14921 13612 *747.0719*@0.7654 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 2773 1 1 17534 17931 17168 1 1 1 1 1 1 1 1 1 26131 27486 26522 1 1 1 1 1 1 1 1 1 1 1 1 5781 5555 6120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *457.7425*@0.763 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H23 N O3 S3 raw intensity 69623 63683 70983 17400 16951 19281 1 1 1 35636 34054 1 23136 20558 21340 16573 15023 13133 36794 32873 34484 1 67675 75700 51779 45939 45807 21350 20099 21516 45450 42891 1 26792 27864 1 49557 49995 52407 28851 1 1 1 1 1 1 1 1 15082 1 14791 1 1 1 1 67038 1 50411 1 1 1 1 1 *831.1649*@0.76977503 raw intensity 35806 1 1 1 1 1 1 1 1 1 5824 6049 3383 1 1 1 1 1 16038 15696 15788 31379 29554 34247 20826 20449 20784 9754 9576 9075 19938 18183 18978 1 7110 1 30756 27866 31396 10341 10006 8833 8648 1 6890 23482 23000 24279 1 1 1 1 1 1 36602 35648 34358 33356 35292 26687 26144 27387 24714 *845.1736*@0.76666665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7315 1 1 1 6697 3164 6454 4047 4556 4019 1 1 1 1 1 1 1 1 1 1 1 1 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22764 22070 21906 21167 4991 3785 4494 19824 19029 19612 1 5192 1 55020 51851 54750 9994 11453 11023 9226 1 9487 50590 53209 53767 1 1 1 1 1 1 30094 29290 29969 72823 73087 75472 35486 33576 31376 Arg Cys Gly raw intensity 207147 217423 213004 137514 139200 131979 596204 607428 608588 122340 110239 114680 24756 25478 25690 257297 264550 255023 251326 253896 246020 167207 165516 188940 127118 126443 126005 221202 221773 216289 214978 212188 226249 206428 207748 197636 349537 336343 335062 221387 223422 216233 591829 570187 562517 246600 236952 241256 147575 154201 152059 527971 510876 530071 172263 184294 177597 186549 189409 198252 136859 150741 145754 *514.1316*@0.7832307 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5103 1 1 1 7350 8475 6757 1 4998 5984 7084 8604 9929 7379 9859 7183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5693 *179.8866*@0.78505355 raw intensity 86493 82529 86212 1 84898 56277 78463 75339 80468 57799 56376 57118 54021 52298 54007 77308 78758 80994 113673 1 116083 99857 1 102151 98668 110667 108484 90839 1 86942 92480 87482 91761 52493 46987 49753 91468 1 83627 100899 92482 75002 74098 71071 64328 66075 1 75249 61960 59491 64423 61858 62364 64292 58932 58302 1 60727 63387 63792 54788 71048 70981 *387.0066*@0.79221743 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 8599 10397 10905 19032 19452 17555 1 4033 1 1 1 1 9898 9737 9256 18595 17336 18068 1 1 3323 1 1 1 1 1 1 10045 10087 10380 13352 13099 12496 1 1 1 1 1 1 1 1 1 1 1 1 6488 7405 8221 1 1 1 *401.0216*@0.7911928 raw intensity 51070 56931 49611 20501 20022 1 1 23455 1 11043 12766 1 20486 19173 19171 24129 23673 23370 62500 62820 60255 56150 54619 56853 59891 59821 61062 26499 26871 24770 53882 51346 51999 20099 19038 18702 84518 80239 82290 33116 34515 34466 33414 32428 31625 134243 134101 135127 18734 19523 18436 1 1 21134 58138 59049 58608 127777 125208 123534 72340 76867 75597 *460.0238*@0.79275006 raw intensity 1 1 1 28030 30170 27172 1 1 1 1 1 1 1 1 1 1 1 1 113139 122716 109737 1 1 1 41133 12249 38648 44909 41057 41820 38390 39603 40938 14874 14253 13754 27796 27381 30515 1 1 1 1 1 1 1 1 1 49667 51516 49898 34772 33878 33826 1 10009 1 1 1 1 1 1 1 *432.065*@0.79471433 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8085 11028 11799 6336 1 1 1 1 1 1 1 1 1 8013 6247 7437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *446.0798*@0.7997499 raw intensity 13428 12802 15490 1 1 1 1 1 1 1 8533 9770 12411 17587 16432 9189 1 7997 8355 8651 8659 15175 13693 15878 12296 12229 11919 6275 5912 6410 12691 10222 11227 5246 4920 5245 13639 1 11206 10084 9675 9285 8620 8470 7847 20511 20761 21072 1 1 1 1 1 1 12610 12653 12124 17725 16928 12847 11876 12971 10990 *553.8944*@0.796 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 9330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *133.0525*@0.809 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4845 1 1 5481 5879 1 1 3048 1 1 1 1 1 1 1 1 1 1 1 1 13041 1 15518 1 1 1 1 1 1 1 1 4365 1 10096 1 1 1 7227 *673.0808*@0.79909813 raw intensity 1 2420 2634 1 1 1572 1 1 1 1 1 1 3912 4166 3247 5444 5632 5063 10775 9955 10739 2999 2825 3581 5426 5584 5185 7352 8167 6259 5298 4840 5315 1 1 1 9558 9460 9471 3015 3037 2852 4551 4653 3921 53374 53177 53331 5428 6156 5553 2358 2230 2302 4730 4458 4606 18636 17640 18859 9944 11341 10244 *304.8371*@0.7973333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2803 1 1 1 3638 1 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *505.0803*@0.7975715 raw intensity 1 1 1 6841 6580 5922 1 1 1 1 1 1 1 1 1 1 1 1 10392 10539 10160 1 1 1 1 1 1 5973 5589 5966 5720 6332 5750 1 3318 2989 1 3129 1 1 1 1 1 1 1 1 1 1 9634 10608 10278 7007 6969 7150 1 1 1 1 1 1 1 1 1 *213.0092*@0.7997842 raw intensity 570522 569920 1 446492 445168 492956 236315 257660 267026 301836 280610 272313 588345 578491 572269 1056205 816038 1021135 1047927 1066137 1 745376 639561 1 865923 824123 891157 1 910172 960900 823097 802816 811223 379790 407809 407810 928018 1 1 1 571780 618299 716793 1 641644 2325222 2407391 1 845753 807721 1 535191 534791 529150 712929 703388 763362 1 1377483 1 1006988 1097699 1074213 C22 H21 N3 O3 S3 raw intensity 6251 1 4710 3400 3986 3348 2256 2345 1 5891 4733 5104 12704 11434 11001 13502 11952 11388 5138 5342 4573 6787 6404 6840 1 7938 7277 6610 7041 7297 5260 5855 4853 1 1 1 6358 1 6861 6464 7272 7244 6871 7165 6249 22237 22157 21624 5345 6802 7162 1 1 4143 4613 1 4294 9033 11630 6447 8518 9054 8710 C8 H9 Cl3 N4 O S3 raw intensity 12435 12528 12468 15404 16509 15497 6589 6811 6591 7925 7302 7537 20365 20637 21104 1 3410 1 1 13018 13049 15718 1 18268 31045 30817 28747 22130 24148 22342 19480 18531 19158 1 2550 1 7682 7315 7831 11806 11163 11882 8681 9232 8171 4889 3862 1 5031 5451 5082 6424 5300 1 9596 9829 9129 6527 5888 6498 3953 1 13121 *492.1699*@0.81259996 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144428 1 1 1 1 1 1 1 1 1 1 56132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14215 15329 1 1 1 1 28675 1 1 1 1 1 1 1 *292.965*@0.7970943 raw intensity 13622 15138 13958 8892 8416 6645 4422 1 4640 1 1 3726 1 9902 1 13063 1 1 30967 33042 31934 16480 14035 18050 26627 24368 22387 33720 34686 28678 27819 24060 28254 1 5605 9068 33473 32354 34866 12318 13122 14072 15727 15745 13070 60289 60365 62476 12648 11576 11833 1 1 15187 17664 16568 16815 39061 38662 38537 22559 24424 25398 *320.2742*@0.8016667 raw intensity 8599 9506 8547 11002 10298 10277 1 12176 1 1 1 3258 1 1 1 3281 1 4154 19016 19903 20856 1 1 10042 1 1 1 11922 11940 11724 1 17510 18765 1 6340 1 13340 1 1 13277 1 1 15733 15543 15191 1 12635 12373 4906 1 6355 1 1 1 1 4422 1 1 1 1 1 1 1 *422.226*@0.80233335 raw intensity 1 1 1 1 1 1 2952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3530 1 3568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *262.0496*@0.804 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *320.3466*@0.8018334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2612 1 1 1 1 1 1 4574 1 4729 1 4464 4281 1 1 1 1 1 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *320.127*@0.8026932 raw intensity 792748 810866 819180 899237 874448 900030 1 987490 990172 426391 399944 401260 145174 150061 154172 475144 497038 465617 1264983 1264200 1277671 725117 704527 828090 269581 273935 275939 915600 938418 918710 1208976 1175618 1281491 636900 643305 641580 1084621 1025944 1048026 1036663 1060629 1035315 1195552 1181196 1108944 967969 954743 972043 587602 595762 617931 912991 890989 888656 516875 519502 494474 702599 688375 737816 271540 297014 310616 *308.196*@0.80841666 raw intensity 1 1 1 1 9019 1 1 1 1 3879 1 2996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3567 4788 4296 4861 1 1 1 1 1 1 1 1 1 10208 10682 1 1 2613 1 1 1 1 1 1 1 1 1 1 1 6722 1 1 5830 1 1 1 1 *322.2118*@0.8075751 raw intensity 1 6435 1 23132 1 15448 11762 10987 7332 17959 18261 12344 1 1 1 3429 1 1 7082 6153 7233 13248 1 5062 1 10787 1 18029 16637 18385 8111 4432 1 1 5608 2905 1 2723 1 10754 12873 1 14069 8076 1 9957 9569 10650 4816 1 4513 4602 5165 4341 1 69470 1 1 1 14340 1 7392 7816 *454.1677*@0.8052667 raw intensity 15207 15088 14568 6060 6677 5230 8532 7500 8822 10795 10718 9961 6530 7602 8371 1 1 1 5539 4474 4278 9597 9956 11250 1 1 12869 5721 5917 5251 1 2693 701585 2003615 1 1 3479 1 1 4510 4277 3820 3119 1 3576 7411 7266 1 1 284921 1424293 1 1 388862 1 23061 1 8112 8366 1 4976 6534 5737 *294.1844*@0.8126613 raw intensity 65360 63692 64944 95978 90410 93230 59724 62324 64645 88458 84462 82791 51676 47044 51702 29275 30085 30996 49048 51216 50794 62400 55293 56599 73891 72307 74645 76969 76485 76786 36697 34280 33119 20779 19127 17286 24382 27035 23184 47632 50653 47510 44767 41323 38347 40837 40971 36341 27785 1 27688 37673 32482 35017 242330 242065 238269 46830 52256 53155 66324 68466 65148 *480.1407*@0.812 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *280.1697*@0.8149286 raw intensity 22514 20426 21991 28462 28773 29946 20649 19672 20405 30638 32432 32519 20531 20054 21090 11509 12220 12670 16723 17901 15809 28148 26826 29475 20115 21334 21093 33252 32277 33302 12076 10959 12152 7457 6877 8233 11803 12413 1 22597 22954 23285 19226 20678 19525 23224 20464 19438 1 1 1 12594 11583 13670 104018 100614 100147 1 18279 18132 1 14441 1 *277.0065*@0.8168214 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 7882 8779 1 1 1 1 1 1 31599 31361 31604 14256 12074 13858 75883 77877 72372 286754 281998 273092 338129 344129 345080 54276 51266 51946 1 1 1 1 1 1 1 1 1 1 32495 34559 58484 60175 59888 1 1 1 1 1 1 143142 153907 154274 C12 H26 O4 S raw intensity 197098 204860 194324 218080 206610 215857 182260 182145 184286 310011 295059 300555 127862 127057 127622 88629 86748 86341 126839 129848 130015 142810 136101 140819 206966 205630 195873 253878 255134 245241 85627 75639 82032 53298 54932 53185 66463 67579 67951 112485 110706 110590 72568 70207 68868 99915 98688 100620 66248 69920 71098 109527 109968 112100 379219 366480 379658 99113 93391 95023 119641 127884 127636 *405.0571*@0.82231814 raw intensity 12342 11975 13723 9718 1 5721 6492 6855 5475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8188 15088 22863 15376 1 1 1 1 1 1 1 1 1 1 1 1 9047 8077 1 14482 15230 12748 1 1 1 1 1 1 1 1 1 11338 10066 10407 3214 1 3304 *647.1197*@0.817 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3165 2394 2778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *430.0488*@0.8233334 raw intensity 10865 11016 9856 1 1 1 1 1 1 1 1 1 1 6905 7108 9781 9909 8607 1 12699 12437 1 1 1 9965 10169 8972 7468 1 7749 4140 4941 4286 1 2242 1 6632 6093 6366 11829 11947 12289 14578 13964 13594 43130 45418 43789 6827 8504 7402 1 2112 2181 1 1 1 16623 15376 16093 5643 6472 6198 *492.1474*@0.8280789 raw intensity 16600 17927 17348 5434 6334 6622 15216 13742 13724 9950 8498 9314 6444 4915 5493 6389 7107 6153 1 1 4658 1 1 1 7152 6209 1 1 7147 6935 1 4292 4638 1 1 1 1 1 1 13779 14853 12533 20029 19721 19278 1 1 1 1 1 1 1 3372 3351 1 1 1 15478 1 16349 11815 13138 14962 *477.0853*@0.819 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *483.2003*@0.8256561 raw intensity 8322 9389 7171 4300 4031 4052 8958 9342 7942 11051 10233 9039 4371 1 1 1 1 1 2077 1 2945 4504 1 4213 5672 6754 5388 4972 4021 4655 1 1 1 1 1 1 1 1 1 4959 1 4992 3986 1 2863 1 3838 3703 1 1 1 1 1 1 10655 1 1 1 3209 1 1 1 3033 *217.0402*@0.83369863 raw intensity 494795 492424 489261 257149 247047 263821 630512 599067 648461 235114 482446 474769 315701 308384 311370 375452 374261 153750 343264 342284 324506 305565 297552 298875 453110 450984 443011 406453 416413 135829 228270 212748 217460 150574 148141 153589 261055 249995 260398 560710 584697 568200 670846 673476 647593 327851 717417 723334 392848 387836 396195 148223 124376 144228 183132 188264 171976 334692 327668 328932 222769 235363 205417 C23 H28 O4 raw intensity 1 1 1 117359 99615 103309 1 1 1 29317 31195 1 89688 79674 78443 171804 1 1 1 42119 45956 117431 135111 113143 64104 1 63881 1 1 13395 37260 1 40710 1 1 1 1 1 1 1 1 1 1 56498 1 1 1 1 1 23721 1 1 1 19217 62927 1 1 19746 1 1 1 1 1 *602.0662*@0.822 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6751 1 6320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *580.0831*@0.82566667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8452 9844 10148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *305.1144*@0.824 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *306.2577*@0.8195263 raw intensity 1 1 1 1 6190 6040 1 4086 1 1 1 1 1 1 1 1 1 1 1 11184 11186 1 1 1 1 1 1 1 1 9646 13021 11633 14063 2955 1 1 1 1 1 1 9077 7793 4151 1 3766 1 5600 5678 1 1 1 1 3723 1 1 1 1 1 4987 6169 1 1 1 *306.1115*@0.81988716 raw intensity 438102 451293 450435 630148 604487 623002 426796 455054 464424 402741 389002 378289 10174 9267 10742 251638 267157 244150 886210 902486 906376 281950 278819 330116 1 19048 19954 791475 795549 771814 950319 927777 1020577 358395 360776 371792 609827 585401 579511 759188 770140 746945 474145 459807 422099 596465 585591 615606 472690 484669 497268 470523 458106 458998 396363 397940 384684 541771 536409 576719 170961 190497 184884 *594.0977*@0.8246667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14173 14426 14666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *196.8174*@0.83232516 raw intensity 117534 128052 124193 1 1 95437 138293 1 113617 198053 216562 281096 180738 144337 237494 214001 186533 277605 1 1 1 178762 220874 144527 1 1 158304 148381 73501 185902 67020 1 150564 281065 1 265372 1 1 1 1 1 85649 1 1 1 1 205898 165148 231720 1 151423 110314 126784 136194 155319 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1 1 1 1 1 1 *147.994*@0.8379091 raw intensity 1 17702 15590 1 1 1 22305 22392 22237 51635 50431 53250 18662 17906 19880 30750 32076 29824 27713 29372 29057 1 1 25292 23838 1 1 30794 1 29644 1 30445 32612 1 1 1 20173 19259 1 18937 19291 19905 1 16505 1 33761 33216 32530 1 15564 1 17705 17320 1 23928 24421 24759 23191 21607 24024 30117 34304 38413 *448.0609*@0.8377713 raw intensity 5478 1 1 51484 51717 54856 1 1 1 1 1 1 6814 1 1 1 1 1 83862 82557 85486 16217 15547 16471 63934 65916 59479 93446 89538 86903 50695 45725 50769 30855 29635 29743 53945 55821 56774 1 1 1 1 1 1 1 1 1 74157 80544 75454 28310 26895 27032 1 1 1 1 1 1 18346 19671 21392 *1138.0374*@0.83653057 raw intensity 9588 9108 9710 1 7613 9045 14391 12524 13240 9772 9562 1 1 5989 5955 5604 1 7970 11972 13019 10556 1 7095 5361 11906 10665 10867 17055 17858 17519 10633 10304 11241 1 4952 4365 1 7664 7495 1 1 13041 11956 15873 11068 14558 14118 14438 12567 13876 13867 6025 5568 5418 1 3338 1 7995 7623 9046 1 1 1 *779.6857*@0.837 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1 1 1 1 2404 3170 27281 27885 26870 47340 47162 47512 36597 35771 37989 9892 9969 9510 1 1 1 1 1 1 1 1 1 15548 15899 14749 40427 39349 41005 1 1 1 1 1 1 1 1 1 *405.0507*@0.9106667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38718 38620 39022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *644.2408*@0.87953573 raw intensity 1 1 1 21424 1 40922 1 1 1 1 1 1 7355 7145 7328 1 1 1 1 15101 1 12022 11565 12442 20646 20392 23089 11062 1 11480 1 1 12603 9442 9496 1 15417 17277 16057 1 1 1 1 1 1 1 1 1 15306 18131 21673 1 19498 52832 1 1 1 1 1 1 18236 18046 17868 *846.3345*@0.8816724 raw intensity 186028 169127 120836 1 17910 25322 84701 86011 92362 48766 44402 47535 1 9490 9054 7794 7714 8076 7606 7558 15533 16604 16150 17174 15954 15054 14681 16678 7781 7653 5324 5022 5659 1 1 1 8756 8570 8416 101898 106757 91612 134743 141932 123518 41820 29445 45793 9858 10543 9864 14198 12014 6217 54921 39081 52770 60451 89266 71669 35255 47120 55226 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13289 14282 13791 11421 12389 11327 1 1 1 1 1 1 1 1 1 1 1 1 3653 4821 4339 4246 4954 4734 1 1 1 1 1 1 1 1 1 *368.561*@0.8781667 raw intensity 1 1 1 1 1 1 1 1 1 8498 1 1 1 1 1 1 10581 1 1 1 1 1 1 1 1 1 1 1 1 4471 1 1 1 1 1 1 1 1 1 1 1 13589 23654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19713 1 *537.1087*@0.89724 raw intensity 1 1 1 13145 13433 11613 1 1 1 1 1 1 1 1 1 1 1 1 21862 20347 19120 1 1 1 4957 4996 5050 9523 9515 9668 31043 31270 31744 28816 28749 29314 1 5483 1 1 1 1 1 1 1 1 1 1 9396 10127 9363 12440 13870 12733 1 1 1 1 1 1 1 1 1 *449.9545*@0.8923772 raw intensity 116572 123950 122792 1 1 1 202103 203158 210095 301295 586955 349660 238955 254923 258756 254295 216598 205900 1 1 1 150048 169525 160420 137875 147102 151668 1 91447 92705 165112 184621 169217 115772 125462 139389 85706 96519 86093 152635 157564 159692 1 115700 123085 280813 328475 305633 87408 94107 98336 1 1 101977 194771 205702 210608 125954 145322 135877 113281 132925 147986 *480.156*@0.92322224 raw intensity 1 1 1 66599 17421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179257 1 11039 10904 189864 1 1 1 115294 229508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477916 1 1 1 1 1 1 *261.1657*@0.89707696 raw intensity 1 1 1 1 6299 1 1 1 1 1 1 1 1 1 1 1 1 1 30841 1 26884 1 1 1 3456 1 1 7250 1 7565 1 26800 1 16002 16769 17182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6905 6106 6758 1 1 1 1 1 1 1 1 1 *466.13*@0.88799995 raw intensity 1 4137 5155 1 1 1 1 1 3670 5059 1 1 5506 4823 4919 1 62807 5029 1 1 1 1 1 1 1 1 1 1 1 3300 1 1 5095 1 1 1 1 1 1 4573 1 1 1 1 1 1 5711 1 1 1 1 1 1 1 4958 1 4505 1 1 1 1 1 1 *261.03*@0.8962702 raw intensity 1 5586 4967 576106 567230 571982 1 1 1 1 1 1 16902 1 16503 1 1 1 1635174 1651553 1625962 198975 203052 203601 395661 390989 386322 683378 679837 671012 1682453 1663746 1696275 1252467 1254204 1256350 271276 272446 270829 1 1 1 1 1 1 1 1 1 541682 542793 541468 660250 655329 660250 1 1 1 1 1 1 146892 161707 160551 *342.8747*@0.898 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 10543 1 1 1 1 1 1 1 1 14285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12144 1 1 1 *629.1975*@0.9016969 raw intensity 1 1 1 79697 71216 78253 1 1 1 1 1 1 1 1 1 1 1 1 256056 90893 89931 24354 1 1 77178 76740 79047 83816 40574 82497 129432 128113 128139 85596 81877 85738 67603 64936 24150 1 1 1 1 1 1 1 1 1 92936 1 44548 101966 50338 101069 1 1 1 9617 10024 7487 24933 23889 48708 *342.2197*@0.92775 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214580 1 1 1 1 307699 1 294163 1 1 1 1 6397 1 1 1 1 1 1 1 161108 1 1 327080 1 363416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19510 *867.223*@0.905 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8150 7309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *861.4009*@0.916 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9835 1 1 1 1 1 1 1 1 1 1 1 *214.246*@0.9049631 raw intensity 223577 1 1 139800 1 150973 329619 1 1 1 589508 1 266891 1 1 1 307472 307165 305057 320586 302085 1 201354 190692 1 1 1 1 287764 296236 278021 262530 277056 1 180484 1 1 1 1 248181 1 1 1 1 1 1 369133 416941 1 1 1 1 265261 1 1 299648 1 1 277420 270905 1 1 374505 *428.7085*@0.9249167 raw intensity 59347 1 1 1 1 1 1 159761 1 1 1 1 59843 1 1 1 1 1 1 1 1 1 1 1 1 4747 1 1 1 204236 1 1 1 1 109197 1 1 1 1 1 1 1 1 99140 118567 1 1 1 1 1 1 1 7224 1 167329 188843 1 173160 1 1 1 1 1 *214.2847*@0.9045868 raw intensity 195877 200152 208130 139388 1 1 307585 295511 1 1 1 570273 246909 1 1 289589 290182 287138 277419 292754 276102 1 1 175987 201979 196269 193207 264033 267918 282269 1 244212 250025 171103 159557 176070 267571 288271 1 247807 249939 1 188517 1 207115 375402 403499 1 1 1 1 257590 269425 263157 290592 249080 269117 265580 258249 264572 363279 334521 371624 *63.0939*@0.90916675 raw intensity 1 1 1 1 5735 4731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9994 1 1 54746 1 1 1 17611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21261 1 1 1 1 1 1 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7.30E+07 7.27E+07 7.28E+07 7.31E+07 7.09E+07 7.29E+07 1 6.25E+07 6.36E+07 8.92E+07 9.28E+07 9.24E+07 *430.3668*@0.908 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *428.207*@0.90736365 raw intensity 1 1 1 1 1 1 1 1470697 1 2752810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472294 1423254 1 1 1 1 1 1 1 1 1 2019837 1371906 1 1 1 1 1737919 1 1750339 1 1 1 1 1 1 1 1 1 1 2023252 2137403 1 1 1765213 *169.9955*@0.90770954 raw intensity 4.04E+07 1 4.00E+07 3.32E+07 3.30E+07 3.31E+07 4.92E+07 4.90E+07 4.97E+07 6.93E+07 7.06E+07 7.04E+07 4.25E+07 4.23E+07 4.28E+07 4.92E+07 5.00E+07 4.95E+07 5.61E+07 5.63E+07 5.64E+07 4.23E+07 4.22E+07 4.26E+07 4.59E+07 4.58E+07 4.60E+07 5.35E+07 5.35E+07 5.37E+07 4.91E+07 4.90E+07 4.95E+07 3.54E+07 3.52E+07 3.50E+07 4.74E+07 4.68E+07 4.64E+07 4.28E+07 4.28E+07 4.26E+07 4.05E+07 4.02E+07 4.00E+07 5.64E+07 5.53E+07 5.58E+07 4.44E+07 4.48E+07 4.50E+07 4.76E+07 4.72E+07 4.73E+07 4.68E+07 4.63E+07 4.62E+07 4.68E+07 4.60E+07 4.62E+07 5.44E+07 5.91E+07 5.88E+07 *432.0683*@0.852 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 1 1 1 1 5111 1 1 1 1 1 1 1 1 1 1 1 1 1 4133 1 1 1 1 3853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H40 N8 S5 raw intensity 132206 138798 101870 45518 46071 45045 95038 89838 95824 142973 142571 145181 71904 57241 56917 68331 66798 56498 45958 45236 33772 28599 27721 27938 26786 30239 31076 62692 63167 62405 56991 56074 55980 29077 30410 28322 43582 42748 42702 1 77141 77146 81413 81884 86442 82286 81596 75159 42683 42327 42664 42103 35798 41206 77929 77979 77413 1 60418 73630 75942 74138 71300 *582.1522*@0.8965557 raw intensity 680731 1161313 1013664 483922 486491 484180 1130791 1112064 1106677 1139364 681782 682614 638212 619901 632485 793483 798319 796781 398263 389472 395629 408118 414532 802917 834074 847767 432885 707281 315272 706432 480460 476845 473243 315411 160796 314371 392421 398279 396386 875729 569894 879877 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136543 185757 193535 197329 253346 263667 174191 113800 114344 147513 122163 168256 122247 350030 347825 336871 316859 310713 315321 173960 141683 162873 203191 184435 191840 355634 378011 362213 464851 459221 455381 204714 203050 194525 189312 193869 191802 236538 226440 234199 322399 304989 315431 308468 203317 288356 285634 322822 260395 *796.4064*@0.910619 raw intensity 73046 72020 40393 12558 8564 12213 1 1 1 33694 32108 32584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12077 17487 11218 1 1 1 1 1 1 1 1 1 17758 17685 13892 27553 26894 30621 1 1 1 1 1 1 1 1 1 15037 26586 15431 1 1 1 1 1 1 *766.3759*@0.9073278 raw intensity 244232 489860 425878 96723 92419 1 215966 173800 194598 175899 173477 163598 70617 71206 67237 78708 76189 76301 107807 106113 25986 26770 27385 65138 62096 68572 26009 100950 99906 94059 57931 62195 42639 26998 10718 25820 91164 91220 26600 179100 181780 185183 290591 152946 278596 88257 74917 73846 30039 29578 30231 74261 28123 78957 140273 142794 137685 1 56193 208312 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1 1 1 1 1 1 1 1 1 37206 36043 36860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *344.1356*@0.96 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *449.9548*@0.9947727 raw intensity 1 1 1 69803 1 1 1 41504 1 1 1 1 22769 1 25375 1 64999 1 1 1 1 1 1 1 1 1 1 1 1 67240 54370 56631 1 1 1 1 44661 35786 51527 1 1 1 11964 1 1 55881 65433 1 36099 33985 1 64379 34948 37470 1 1 1 1 1 26928 37898 1 40832 *409.982*@0.9224499 raw intensity 1 1 1 1 1 1 1 1 1 181135 257133 181975 1 1 1 185335 189809 188883 189465 186205 189213 1 1 1 1 1 1 198391 203161 195895 199582 206305 205290 1 1 1 1 1 1 1 1 1 1 1 1 223132 218033 224681 1 1 1 1 1 1 1 1 1 1 1 1 1 198086 193034 *782.3707*@0.9481001 raw intensity 1 105489 91738 22653 17331 29757 49314 63189 60337 26026 72943 75130 1 1 1 16656 1 12939 18774 12324 1 1 1 1 1 1 1 56587 51148 55655 1 1 1 1 1 1 20066 1 20447 53877 33629 21346 49989 54231 47941 24470 15651 18133 1 44042 42428 1 44474 41998 8396 1 16757 23396 92754 23018 30039 1 29208 *195.9951*@0.9646509 raw intensity 119530 122647 121180 90146 91776 94527 135376 130320 134838 148406 145803 154543 125675 124729 126462 135182 133524 133605 134479 156374 142729 108049 107033 111556 124531 119200 125081 137660 138176 132528 134162 129096 127079 107233 109651 108188 141842 143869 143980 132345 130916 130924 123555 115928 122897 150824 145779 144254 142572 134704 131536 145120 132717 133236 137860 137894 140441 127828 131003 131331 137160 136373 131972 *298.1586*@0.9650002 raw intensity 82937 78298 88730 125930 148258 126652 85419 89818 89148 112347 111202 104860 65349 67167 67807 296531 292059 300042 110665 109413 108969 240623 238082 243968 124359 124696 130725 144639 136712 135339 153613 150651 147353 86069 112475 91679 225649 221542 210092 241653 225494 225006 192714 190066 185228 156292 158783 157398 293351 282048 294991 347547 350334 349068 316774 305253 301283 133214 122898 136143 441110 477980 484225 *131.9995*@0.9606169 raw intensity 219861 257694 206028 200647 177787 180774 255590 261078 240447 1 277516 289557 233471 237950 214509 311805 273167 312362 311730 311831 1 229290 234872 229629 275047 277330 276935 291497 281743 284418 286750 286986 291066 219068 203917 214743 236913 236834 229726 230280 230621 223947 264770 246706 205657 279770 275559 271078 255805 280708 245154 249242 289367 249657 231356 289688 239282 264210 243958 296339 294386 1 305426 *386.1745*@0.9675957 raw intensity 34166 33658 33685 62695 1 1 1 1 1 29530 27968 25276 37455 41313 39307 28675 29521 28693 1 1 1 78596 82318 80451 72384 76106 73673 70370 71286 74213 20169 22062 19770 13216 14310 14002 1 1 1 1 67421 63374 79070 79572 77694 44371 46308 47617 46368 46084 47114 38589 38076 40018 58375 14123 17846 1 1 1 102686 108524 1 C28 H40 N2 O8 S3 raw intensity 21719 22076 21263 1 1 1 34913 35155 29860 56704 55844 57656 11033 8767 10830 11562 13724 13439 1 1 1 1 1 1 1 1 1 23671 25296 29158 1 1 1 1 1 1 19942 20461 18912 23687 21633 20351 18485 19633 20042 21389 21130 18573 1 1 10214 1 1 1 10767 12952 12214 1 1 9416 16407 14724 16982 *285.0404*@0.96816665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38149 36765 36499 12949 13358 13724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *726.3838*@0.9682778 raw intensity 29431 8701 9476 11693 11876 11305 6754 7190 8434 1 1 1 1 1 1 14558 13602 12592 1 1 1 1 1 8228 1 1 1 8805 10031 10227 6039 6711 14326 1 1 1 12844 12550 29529 1 20194 18848 20055 20015 19448 1 1 1 1 1 1 14610 1 15002 21362 19843 22730 1 1 7723 36915 62650 41516 *800.3828*@0.9694286 raw intensity 6874 9997 8851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12971 10175 10022 1 1 1 1 1 1 7304 8003 7571 1 1 1 1 1 1 1 16687 14536 1 1 1 15119 16026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15015 1 1 1 *516.05*@0.97 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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19749 14927 1 13415 14705 14335 15677 13985 1 1 15841 13187 17442 13271 12711 13200 1 13867 14807 1 1 1 19663 19893 19014 1 1 1 1 1 1 *699.255*@0.9815 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5789 4464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1135.989*@0.956 raw intensity 494986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132608 1 1 1 414588 1 1 1 1 1 259365 1 1 1 224135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Met His Lys raw intensity 792634 780802 719478 533664 530854 528100 628665 655374 725946 552454 549846 544248 209768 209575 212325 294385 304214 299794 384070 384522 385401 104536 105692 107985 132549 121107 129928 673356 706041 715402 301138 295679 300619 153840 147531 149737 460640 510015 461123 635492 654866 594608 833072 835402 737363 300832 291633 286307 184900 182120 193776 330614 339808 336880 348592 354069 318258 272566 278193 266594 330987 373096 367688 *1136.5845*@0.96325004 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2718 1 1 1 1 1 1 1 3880 1 1 1 1 1 1 1 1 1 1 1 1 6522 1 1 5510 1 1 1 1 1 1 1 1 1 *650.0935*@0.9873333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 4454 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *205.953*@0.9828696 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38364 36002 40930 56263 69110 61160 78091 84274 1 124338 120794 115173 84693 73959 73590 58598 60243 52412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123123 1 224602 227677 230696 1 75683 80635 *419.0663*@0.98933333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100355 104754 103813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H45 Cl O5 raw intensity 6487 6005 5419 27660 26435 24095 3673 4835 1 1 1 1 9129 10215 1 1 1 1 1 1 12574 3781 4653 3270 4819 1 1 4745 1 5992 4836 4433 4282 1 1 1 2669 3390 3174 3667 3430 3708 6300 1 7036 1 1 1 1 1 4724 2151 1 1 19824 20277 18981 1 4501 4098 1 1 1 *592.2554*@0.991091 raw intensity 1 1 1 8920 9175 8159 8532 8201 7823 1 1 1 1 1 1 1 1 1 7136 8676 1 13370 11277 7194 1 1 9600 5476 5996 7449 1 1 1 1 1 1 1 1 1 1 1 1 11146 11084 11820 1 12005 1 1 1 1 1 1 1 10771 5851 8117 1 1 1 1 1 1 *334.0286*@0.98849183 raw intensity 88051 89347 90999 107065 98803 94692 88615 96937 95745 86344 88243 80166 108540 108175 112452 1 100683 74146 108229 106176 107163 103235 118638 114029 114170 116330 116586 82077 79059 74749 55741 80841 54326 74406 64991 62384 66302 72233 68551 75515 70264 1 79553 85156 83234 102398 91407 90565 91857 95173 89045 81403 80996 78592 112026 105171 108011 133529 133647 150586 89987 79053 82598 *826.1068*@0.99079317 raw intensity 1 1 1 1 1 1 10068 1 1 1 1 1 1 1 1 1 6104 11750 32486 29286 1 1 9344 1 33757 11960 15037 4666 4665 6826 1 1 1 15201 1 1 1 1 1 19174 19264 24487 23783 22519 24387 23339 16368 26243 23535 19773 1 1 1 1 9614 4147 1 15213 5618 13432 1 1 1 *1278.5613*@0.9915 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3545 1 1 1 1 1 1 1 1 1 1 1 3705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *833.2735*@0.9886667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7666 8687 6185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *856.0763*@0.99387497 raw intensity 1 1 1 1 1 1 1 1 1 10853 11299 1 1 1 1 1 1 1 1 7746 1 1 1 3162 1 7703 7953 1 1 3134 1 4691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *970.0682*@0.9937 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12153 1 1 1 8144 8572 8888 9372 1 1 6297 6707 8491 1 1 1 1 1 1 1 1 1 1 1 1 1 15347 1 19513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *869.2056*@0.9956667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10837 13797 11906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *772.0958*@0.9959375 raw intensity 1 1 1 1 1 1 1 1 16118 6310 6310 5621 12140 1 1 1 1 1 1 20399 1 1 1 1 1 1 1 10320 13649 17351 13086 11189 12000 1 1 1 1 1 1 1 14430 1 1 1 1 22444 21533 26800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *864.3446*@0.9952858 raw intensity 39564 43890 46004 31657 29161 30575 41036 41003 44245 15717 15110 21826 1 1 1 1 1 2296 1 12115 1 4479 1 1 6810 7552 7759 45942 51524 16543 17169 18549 16787 1 1 1 34830 33319 34058 49012 48961 50126 29418 28019 65885 1 1 8031 13532 12851 13838 19298 17356 17575 11804 14424 7896 19103 30187 30491 34301 41828 42872 *681.1572*@0.998 raw intensity 1 1 1 1 1 19087 1 1 1 1 1 1 1 1 1 1 1 1 23742 19575 19990 1 1 1 1 1 1 31162 35352 30464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31609 28403 29600 1 1 1 1 1 1 1 1 1 *865.349*@0.99366665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15307 1 1 1 1 1 1 1 1 1 1 1 1 18415 16716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1585.1262*@0.998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1 1 1 1 1 3362 4641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4545 1 *862.3237*@0.998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17740 1 1 1 1 1 1 1 1 1 1 1 1 21221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *892.0928*@1.0006429 raw intensity 10223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25670 26258 1 1 1 1 1 1 1 1 7211 1 6333 9840 1 11742 1 1 1 1 1 1 1 7029 30861 1 1 6220 26007 1 1 1 1 1 1 21408 22972 8528 1 1 1 1 1 1 *818.3033*@0.9904893 raw intensity 26530 21795 1 11677 12119 8521 11986 14235 13239 4710 1 3652 1 1 1 1 1 1 6482 24970 20682 1 11189 11423 17081 15969 17466 22908 1 23069 11321 13963 12709 5946 1 1 32405 26206 28321 19517 21875 18083 17191 30009 28888 6764 1 1 1 17731 15781 18289 16888 20071 1 5281 6792 4665 7762 7583 48918 11285 12098 *1314.4768*@0.99616665 raw intensity 1 1 1 1 1 1 1 1 1 1 3150 2850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19951 18844 19054 3573 1 1 1 1 1 1 1 1 16415 16399 16263 23459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15779 15961 *1845.5981*@0.998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1270.4584*@0.9983334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 1 1 1 1 1 1 1 8730 1 6151 4077 1 7479 8067 8421 1 1 1 1 1 1 1 1 1 1 1 1 1 17055 17864 1 1 1 *352.1698*@1.0002453 raw intensity 11016 11523 10937 13775 13087 13513 11656 12291 13564 3662 1 6484 1 1 1 1 1 1 12059 8674 8007 10492 10451 10891 12638 14245 15101 19863 20330 18323 8111 8409 9219 6227 1 7746 12026 14247 12643 19961 34237 24716 24236 24550 26032 5064 6314 1 13791 12126 12002 10802 10296 9690 1 7209 8420 22848 22301 21747 16797 20727 20343 *450.3922*@1.0007333 raw intensity 12261 13636 12837 17967 19523 17946 16324 16555 16014 1 1 1 1 1 1 1 1 1 6727 7454 7658 10905 13554 12803 14140 15789 16597 27182 28340 26417 10664 1 9894 1 6183 1 1 1 1 1 1 1 32781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22071 21614 1 22286 26907 27789 *384.2089*@0.9983334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21107 18743 19435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1371.1416*@0.99980664 raw intensity 44084 41200 45603 54514 49468 50129 55659 54242 54783 15961 15052 14824 14853 17861 17024 7277 7668 6886 13627 12472 12835 25699 28127 26156 26412 25404 24823 43329 41426 41112 30263 31813 29180 38930 38831 41030 65779 63611 66990 79752 76273 78332 71745 69006 74100 16494 16868 16931 55670 51309 50908 44290 45620 43607 15258 1 13168 40376 46078 46877 58953 56787 56011 *451.5346*@1.006 raw intensity 1 1 1 5569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4458 1 1 1 1 1 1 1 1 1 1 1 1 1 30375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1800.5488*@1.00036 raw intensity 11013 10667 1 1 1 1 1 11812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20685 20425 22460 5905 1 1 1 1 1 14148 13510 13180 22326 19239 23074 26161 23890 23943 1 1 1 1 1 1 8629 6658 6697 1 1 1 26781 34550 40963 22877 24954 25024 *524.3814*@1.0014666 raw intensity 3505 1958 1 8711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5515 4786 5206 1 1 1 7067 1 5248 1 2442 3892 1 1 1 1 1 1 1 1 1 1 1 1 1 4765 1 1 3952 1 1 1 1 1 1 1 1 1 1 3965 4218 4022 1 1 1 *724.3557*@1.0002882 raw intensity 11036 10270 9956 1 15155 13763 9771 8249 9416 2533 3812 3094 15182 16428 15392 4473 4424 5558 23384 21433 1 22443 24781 22885 20280 20736 22341 15670 17164 15762 6131 5625 6935 1 1 1 1 5843 1 7397 6043 7234 15822 15628 16023 27286 1 26725 1 7875 8009 16132 13168 12361 13682 14399 12330 22284 16247 15912 1 2950 1 *1350.4156*@1.0014166 raw intensity 21497 1 20606 24082 23556 23174 21761 24056 22594 1 1 1 1 1 1 1 1 1 8717 1 1 14049 15369 14149 20576 20865 21806 40813 39391 43306 13725 12536 12764 6447 6109 1 27715 24429 25279 46592 44245 48678 64656 58040 56065 1 2030 1 18881 18730 19148 13900 11272 14132 3738 4830 4134 58984 59737 48695 39152 43899 44886 *758.057*@1.0005 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15891 1 17383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *700.0623*@1.0039577 raw intensity 1 1 1 17654 13130 17603 34278 35716 32797 27098 24261 27000 14562 1 5605 1 9869 10016 37776 40159 39245 1 1 1 1 22848 22610 8188 9292 9802 8853 9699 8596 10503 10891 1 7686 9097 9056 14474 13831 13046 25231 22238 25478 82152 83263 83925 1 23274 1 2397 1 1 11963 21092 1 38707 36264 35382 1 12582 13080 *225.2519*@1.0015714 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4870 1 3706 1 1 4737 1 1 1 1 1 1 1 1 1 1 1 1 6622 6725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5445 4535 1 1 *486.0628*@1.00275 raw intensity 1 1 1 1 1 1 1 1 1 6266 5460 7021 1 1 1 5056 5150 3879 1 1 1 1 1 1 1 1 1 3393 6328 6049 1 1 4130 1 1 1 3225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19311 1 1 1 1 1 1 C26 H32 N8 O3 S2 raw intensity 55462 59578 57278 51339 53519 57228 53753 53078 51641 15325 13780 17391 44335 44163 50213 18949 19433 20997 79643 80993 75128 86828 89836 91544 56842 58366 59358 59984 55465 60510 56575 55643 58035 1 19640 18217 28696 30228 29298 34660 36777 43423 37461 36975 31652 51047 50278 45013 32706 35517 32283 21248 20959 19562 103085 102688 91046 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187343 186848 188960 201420 185741 197827 291835 268882 285845 337545 345104 301361 304739 338308 295603 244185 249297 1 136099 127058 128305 844102 916000 1 328182 1 324676 73970 75585 75152 *682.2947*@1.0038 raw intensity 1 1 1 15647 19951 17729 1 1 1 1 1 1 1 1 1 1 1 1 1 15503 17528 1 1 1 1 1 1 1 1 9061 10031 1 1 7119 7795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11560 1 1 1 1 1 1 1 1 1 1 *450.7722*@1.004 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *430.4434*@0.9518 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50361 1 1 1 1 1 1 1 18909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8607 19389 1 1 14587 1 1 1 1 1 *116.0104*@1.0066665 raw intensity 1 1 1 1 1 1 1 35195 1 41736 40092 40512 1 1 1 35901 35169 22569 1 1 1 1 1 1 1 1 1 28037 24177 25857 34745 32935 33488 33851 1 45397 36050 1 1 1 38181 38098 1 1 1 34143 1 41294 33582 1 1 1 43603 42515 1 1 1 1 1 1 26976 1 1 *424.3298*@1.0031112 raw intensity 1 1 1 6590 8960 6238 1 1 1 1 1 1 1 1 1 1 1 1 3844 3639 4547 9680 11361 11210 4390 8078 7413 2616 1 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3337 5485 7805 1 1 1 1 1 1 1 1 1 4771 1 1 1 1 1 *1086.4342*@1.00316 raw intensity 42337 43160 42941 5555 4151 1 4464 1 6174 1 1 1 1 1 1 1 1 1 1 1 1 3635 1 5176 3431 1 4147 2538 4505 4679 1 1 2677 1 1 1 1 1 1 12105 11188 10991 1 8064 1 1 1 1 6720 8123 1 1 1 1 1 1 1 1 4012 1 5720 6827 6324 *760.036*@1.0047143 raw intensity 1 1 1 1 1 1 6521 5277 6897 1 1 1 1 1 1 1 1 1 1 1 16192 1 1 1 1 1 1 1 1 6135 5332 1 4568 4703 1 4696 1 1 1 1 7931 19686 1 1 1 1 20183 1 1 1 4466 1 1 1 1 1 1 1 1 1 1 1 8362 *362.0743*@1.007 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *716.2222*@1.007643 raw intensity 84166 83399 83765 1 1 1 1 1 1 19816 20091 20055 12213 12139 12813 9175 10781 9287 1 1 1 1 1 1 1 1 1 5178 1 6246 7522 8777 8364 1 1 1 1 1 1 7798 5871 18824 1 1 1 8008 7336 8572 10847 11792 6559 1 2934 1 1 1 1 1 1 1 1 1 2305 *340.3942*@1.0063334 raw intensity 3940 3366 1 1 21375 1 1 1 1 1 1 1 2646 2458 1622 1 1 1 8216 6423 6841 3662 1 1 3631 2085 2757 1 1 5956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3546 1 1 4055 1 1 1 1 1 1 47140 44059 1 1 1 1 1 1 1 *744.0585*@1.0079777 raw intensity 1 1 1 1 1 1 30265 21295 22055 1 1 1 1 1 1 17352 16400 17977 68292 74854 77631 19377 13085 18320 56451 69056 62962 23327 22040 26269 30028 34489 30837 24367 1 22954 28869 27914 30240 30646 29566 1 69745 63234 64367 59281 50644 53455 27266 29737 30030 1 1 1 29398 38614 29338 27628 1 30901 64441 81883 76832 C19 H28 N6 raw intensity 409973 434229 406322 1358393 1349474 1351913 223025 223130 215235 1 1 1 362307 315406 321217 1 1 1 744408 683222 694752 504328 526841 576501 1 414278 389550 589597 637729 607967 229371 217649 190296 121492 112015 133082 131925 121000 126951 248613 247800 274767 540819 490202 527087 662065 658327 654684 226235 195675 204261 88851 77530 80115 2260446 2264335 2210845 347747 339398 346470 1 1 1 *624.3623*@1.0029626 raw intensity 66264 64738 62228 159264 163223 154014 37673 38367 36533 8034 8279 6811 102214 102508 102221 1 1 13423 1 1 24910 50485 58937 46635 34470 31839 33185 18992 17105 15139 1 9303 6448 29446 28936 30804 27688 29062 28071 41103 38910 50153 108158 114600 109852 89111 83691 86217 41705 51984 56600 79180 69835 63348 76011 1 74485 87054 90801 94351 1 1 1 *1394.433*@1.012 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5087 6391 4776 1 1 1 1 1 1 1 1 1 13180 1 11013 19298 17192 12976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *420.1575*@1.013 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32285 1 28434 1 58066 58017 1 1 1 9852 9517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *590.2977*@1.0111177 raw intensity 13603 14309 11726 1 1 1 1 1 1 1 1 1 20259 19873 1 1 1 1 18395 1 1 30223 1 29318 20339 19847 1 1 1 14530 1 1 1 1 1 1 1 1 1 1 1 1 18848 1 1 1 1 16397 1 6978 1 12275 12071 1 1 1 1 1 9345 1 1 1 1 Sulfaphenazole raw intensity 41804 41841 40746 109159 77364 78686 27469 24634 24676 17060 14797 17340 13666 14606 13030 1 7639 9582 66052 75549 75621 99541 99059 99766 48061 55234 53680 1 1 9034 1 11283 12565 5593 11170 10378 9811 8050 7095 23525 23009 25071 25050 25800 28203 33694 36339 31167 31996 35133 36519 1 1 1 36339 1 37772 19558 16128 15908 1 1 1 *618.0614*@1.0164211 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17927 1 6817 10787 11205 1 1 1 7589 8412 1 1 1 6442 11462 13093 1 1 1 1 23836 29402 24832 1 1 11289 1 1 1 1 1 1 14795 20234 10725 9999 15153 15815 C29 H23 Cl N4 O7 S3 raw intensity 1 9356 7832 1 1 1 23085 20968 18026 5845 3982 3898 1 1 1 21996 23400 16276 70550 80040 84626 20468 21150 19330 93370 101483 106532 13985 15571 17032 25049 26694 28358 12442 12442 11809 33327 34228 30243 17474 1 22132 44434 44168 43888 58199 56116 62362 29195 38501 27153 10733 6953 12455 9836 18578 18282 1 19646 18195 80986 104848 105578 *944.3014*@1.0158334 raw intensity 13006 13996 11593 8091 1 1 1 1 1 6086 1 4609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12824 1 12546 1 1 1 1 1 1 12493 1 9211 1 34171 32319 40962 39474 42710 1 1 1 1 7300 1 7547 1 6919 1 1 1 1 1 1 1 1 1 His Ile Trp raw intensity 143856 137803 142679 343874 344089 339415 61777 63902 62114 10889 11018 10646 165405 159784 158097 21441 19493 18587 56418 53258 50011 50594 42195 39993 35835 31907 26994 50061 51727 49056 24020 23702 21824 63996 60462 66037 54129 51043 50766 97951 98515 97597 152953 153662 152605 149238 146906 145548 74064 75235 74844 34850 33859 35559 368947 376356 372356 76374 73812 74086 47055 1 1 *1000.9255*@1.0204192 raw intensity 33364 32156 32225 22424 21474 22262 15745 16492 16445 56191 55098 54936 110043 110645 110145 146186 144444 140381 41428 37522 38256 27034 26663 26470 28982 28822 31886 31840 32841 32625 48795 49452 47132 32324 33521 34772 52316 51402 52985 40017 39468 40823 35504 36236 35863 35364 34355 24073 32255 31743 31420 16976 32490 32601 25273 1 27187 30856 31283 32223 30042 29171 27074 *822.0417*@1.0193334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10895 1 3893 4173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4002 1 1 20188 18335 *130.0273*@1.0215601 raw intensity 13410 1 12217 1 1 1 1 13843 1 25480 24820 25671 1 11591 12165 12246 14526 13790 1 1 1 1 11190 1 1 1 1 1 17568 17479 17765 17784 20347 1 10460 12573 1 1 1 1 1 12293 1 1 1 1 1 1 15651 1 1 1 1 1 17751 19904 17064 1 1 11238 1 1 1 *502.0648*@1.02025 raw intensity 1 1 1 3002 1 1 4652 1 4769 1 1 1 1 1 1 1 1 1 1 1 1 5768 24669 20033 1 1 1 1 1 4437 1 5201 1 4052 3825 1 3015 3459 5034 4894 4818 5059 1 1 1 1 1 1 5127 4537 16272 1 1 1 1 1 1 1 11368 1 1 1 1 C20 H34 N6 O5 S raw intensity 39915 34173 38309 43458 41848 43790 75034 73886 74795 16254 18735 16819 30536 28672 30369 20809 20935 21547 29489 29958 30299 57750 56858 57367 84305 80302 87818 27177 25385 26523 37358 37128 36792 37360 35695 37069 18457 14251 16302 24778 24939 24553 27816 26429 29863 81456 81170 79651 21595 21615 22610 28489 27286 27243 1 1 26176 87884 86176 90523 56210 60003 63636 *448.0776*@1.0332941 raw intensity 1 1 31396 1 1 1 1 1 1 1 7390 1 1 1 1 1 1 14963 1 1 21030 1 1 1 1 1 1 6554 8900 9024 9283 8595 6746 53601 1 25268 1 1 1 18776 1 1 1 44928 42020 1 1 1 1 1 1 1 1 1 1 1 1 19840 19578 1 1 1 1 *479.1538*@1.0205833 raw intensity 1 1 1 1 1 1 4916 1 5428 1 1 3812 1 1 1 1 1 1 12422 1 1 28960 1 29142 1 3143 1 5671 1 4618 1 6872 1 1 1 2712 1 1 1 1 1 1 1 1 1 1 1 6775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *678.0318*@1.0262 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32204 8155 1 1 1 13892 1 4012 1 1 1 *494.1617*@1.0222541 raw intensity 122709 125428 129515 56924 59211 61755 125936 107194 133450 131287 129480 122469 25333 1 1 33990 33768 33864 39485 1 45323 25389 26716 27458 55349 53900 48768 94779 97206 99250 44326 37448 43414 17366 1 16986 87455 87281 85362 273958 269677 275031 340637 310060 316286 124804 116515 116504 52491 53591 52200 48018 72361 75955 40049 40095 44597 76501 77690 3535 92497 100946 100727 *159.8531*@1.0233846 raw intensity 1 1 1 1 1 1 1 1 1 1496573 1 1 1 2389260 1 3756597 1 3738623 1 1 1 1 1 1 1 1 1169324 1 1 1268984 1809393 1816168 1 1 1 1 1290578 1292984 1296772 835519 1 1 1 1 920490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *160.0777*@1.0225 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *636.0717*@1.01775 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4183 4064 4880 *544.0392*@1.0265747 raw intensity 1 2878 4755 1 1 1 18913 19266 20556 48339 48589 50390 16478 13815 16105 1 1 1 23966 23370 41661 1 1 1 23079 23778 25421 18194 23149 36515 8967 12396 9562 13239 13277 18030 13102 13216 11915 25886 1 23802 28205 27130 45124 90489 93851 129044 9307 14354 25328 1 1 1 1 19063 1 54485 59454 59886 15987 19504 20949 *596.0214*@1.0315 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6422 1 1 1 1 1 5630 11952 14089 13534 5401 4826 4977 1 1 1 1 1 1 1 1 1 1 1 1 23875 7387 51729 1 1 1 1 1 1 1 1 1 9270 58505 10505 54680 1 45321 *672.0259*@1.03175 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16686 15886 17578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14848 1 1 1 1 1 1 1 1 1 1 *356.2296*@1.0257223 raw intensity 50324 1 1 1 1 1 1 1 1 1 1 1 36044 1 1 1 8882 1 1 1 1 1 72512 71705 1 1 40129 1 1 32776 1 1 1 1 1 1 1 12968 1 1 24547 1 1 1 24720 33731 1 36583 1 1 26038 1 1 13641 1 1 1 1 37536 1 18859 16679 26789 C34 H15 Cl O7 raw intensity 1 1 1 1 1 1 1 15163 13500 1 1 1 1 1 1 11977 10576 11404 1 1 1 1 1 1 76040 43607 44565 1 1 4167 1 6360 1 31423 30781 42026 27994 27067 28404 39657 32586 30637 77156 78418 79751 42558 37816 35694 36039 39714 1 1 8154 1 1 1 1 26657 30335 19448 36525 37617 23514 *612.0433*@1.035 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 28033 4392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *181.8465*@1.0266923 raw intensity 11591 1 14270 1 1 1 1 1 1 22473 23060 1 21277 34145 24554 36787 37938 1 15801 1 12730 21037 16178 16840 1 16368 16253 11797 16222 16999 19367 16828 1 22476 15895 16913 1 1 1 1 1 1 14744 1 1 14432 14329 14066 13798 1 14223 14636 12473 13890 14208 14687 15667 1 9347 10895 1 11405 1 *330.0501*@1.0298333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6213 1 1 1 1 4716 1 1 1 1 1 1 1 1 1 1 3503 1 1 1 1 1 10327 1 1 1 1 1 1 1 3842 1 3638 1 1 1 1 1 1 *536.054*@1.0366668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5931 33437 8231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49848 9958 22140 *496.1562*@1.0239999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8284 1 1 1 *638.057*@1.0301 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37179 35225 1 1 1 1 5243 8619 10076 10339 1 10776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52402 40640 1 1 1 1 1 17801 *858.6284*@1.032 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C34 H23 Cl S3 raw intensity 45699 1 1 51131 80452 44470 20501 33325 21019 14742 14827 8449 37918 37617 39251 48549 27967 42743 56034 50930 59014 103836 99177 87561 94796 100335 90183 7803 5736 10548 13137 10771 12065 85964 91741 70294 44334 43816 41994 61881 89432 85914 119081 112930 117025 55053 59797 54625 91880 99403 102262 40515 40558 40016 1 1 1 53954 52910 54005 30896 14283 25304 *867.9667*@1.027 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7967 1 6185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10265 7800 11762 13687 12611 *880.0187*@1.033 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *438.1496*@1.0342 raw intensity 1 1 1 7478 1 1 1 2777 2832 1 1 1 1 8580 1 1 1 1 1 1 1 1 1 1 5009 6851 1 1 1 6507 1 1 1 1 1 1 1 1 1 1 1 1 6607 6101 6405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *805.9979*@1.034 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *430.0991*@1.035 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *444.0416*@1.0302632 raw intensity 1 1 1 1 1 1 1 12006 12817 21328 20947 19433 1 1 1 23466 1 1 1 1 1 1 1 4696 9670 9439 1 1 1 12880 1 1 5201 19901 28599 1 1 1 1 1 26021 26609 1 1 1 1 1 1 1 1 1 1 1 1 10477 1 1 44854 52336 50274 1 1 1 *530.0951*@1.0363333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16584 11781 1 8939 8348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12241 1 11878 1 1 1 1 1 1 *250.1555*@1.0356376 raw intensity 83842 79956 83219 86499 85589 85533 68932 71056 70623 55073 62519 56883 94773 90422 99995 97626 102917 109668 122051 124723 123761 193096 219840 214956 197188 200476 200055 92980 133319 174477 143713 151050 145032 176513 169692 167290 72967 68520 69073 117381 118378 110550 1 1 114884 171085 160310 163378 120630 1 172126 81316 78840 77817 101478 102943 99888 1 1 137518 74501 94343 98708 *859.9712*@1.0339 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33943 14912 1 1 1 1 1 1 1 1 1 1 34124 1 12934 1 5254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8794 18264 10582 1 41328 17829 *322.071*@1.0334762 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5352 7074 6848 1 1 1 9041 8446 9560 9009 10369 12357 1 1 1 3772 4182 4130 1 1 1 1 1 1 1 1 1 3910 3366 1 1 1 1 1 1 1 1 1 6176 7266 6288 5894 13998 12444 12733 *374.0543*@1.0355642 raw intensity 56372 1 23567 33000 1 104324 1 1 1 1 1 1 1 1 1 1 27186 1 143460 141486 147588 1 171278 1 1 273527 100775 1 34368 29456 1 1 1 98093 1 93350 57550 55268 17698 54394 143478 130654 134733 131436 135280 114052 114445 113244 38720 38430 132406 1 51883 1 65511 37694 70697 1 77180 76950 48419 26497 58228 *664.0374*@1.0413041 raw intensity 10995 10438 46972 20458 1 30518 47170 46622 29452 7674 8431 8482 5645 1 5363 18148 19292 20831 117535 1 31877 1 1 70768 33866 35222 33974 8748 72481 9815 5938 4825 1 1 6182 5728 6800 7590 6703 11121 11839 11506 28305 12253 1 48383 12080 1 13691 15398 15097 41976 37441 1 1 1 1 1 20355 1 1 39365 1 *488.0459*@1.0367049 raw intensity 28437 27937 73362 47408 46087 47622 30163 30527 48920 12344 12167 10934 44889 21805 41326 21011 20694 57711 59003 59439 34761 65934 105920 103174 71217 129585 135079 6166 8055 10351 6739 1 13281 79167 57313 89702 39778 26685 27893 64249 113441 68583 121881 105893 109467 60986 58439 1 87368 61734 113062 20175 21635 22053 40707 45191 40591 70649 71437 72837 50654 13747 39248 *284.2683*@1.037478 raw intensity 17175 17329 20153 18002 18616 1 9707 15273 15462 5453 6211 5340 10130 5833 1 1 1 1 7578 13050 16344 12645 17570 11578 21267 21832 21603 19545 17916 17466 1 15138 14720 9319 9245 12159 11097 1 1 16233 16815 19578 22735 22173 22206 14731 9413 16634 1 1 1 9004 11058 1 1 1 1 48157 1 1 11674 11465 11705 *454.147*@1.0174 raw intensity 20135 27533 1 1 1 6636 1 6950 6518 1 1 1 1 1 1 1 1 1 1 1 1 8871 1 7983 1 9114 9335 1 1 25228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *436.0616*@1.0372 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7625 10505 1 1 1 8318 6710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8634 9478 8901 14088 12219 12421 *376.054*@1.0398889 raw intensity 1 1 1 13054 1 1 1 11331 10494 8863 1 1 6713 1 7147 1 1 1 1 1 1 1 1 1 1 1 1 11331 1 14220 1 1 5466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *482.0049*@1.0407144 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7899 1 1 1 1 1 1 1 1 1 1 22335 6741 7046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 7905 14893 *171.2378*@1.0613333 raw intensity 1 1 1 1 1 1 1 1 1 1 11344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3792 1 1 1 1 1 1 *748.0175*@1.0314667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4647 1 1 1 1 1 1 1 25381 22936 24055 30519 23000 28043 1 1 1 1 1 1 1 1 1 5938 1 1 1 1 1 1 1 1 1 1 1 1 1 3492 1 1 1 15225 14713 10605 31730 41109 41566 *785.9546*@1.0413 raw intensity 1 1 1 1 1 1 1 1 1 1 10816 7802 1 1 1 34418 29950 40022 22888 1 1 1 1 1 1 1 1 1 25385 21684 11117 18961 1 1 1 1 1 1 1 9930 1 1 1 1 1 1 1 11485 1 1 1 1 18645 17865 1 1 1 26603 20636 26347 37355 39369 29945 *195.0889*@1.0413 raw intensity 1 1 1 1 1 4164 1 1 1 1 1 1 1 1 1 1 1 1 4260 1 1 1 1 7061 3868 1 1 1 6051 6267 1 4921 4940 1 1 1 1 1 1 5165 1 1 4512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *449.9539*@0.9529091 raw intensity 1 1 1 1 76865 74446 1 1 1 1 1 1 1 1 1 1 1 83101 72905 76705 76877 1 1 1 1 1 1 74342 77981 76965 1 1 1 1 1 1 1 1 1 1 1 1 77658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77026 *416.2184*@1.0452499 raw intensity 1 1 70537 1 1 1 1 1 1 1 1 1 1 17969 16741 1 1 1 1 1 1 1 7216 1 1 1 1 1 1 42004 29433 33754 1 18501 24336 22176 66987 1 1 1 1 1 1 1 1 9014 21018 1 1 1 1 1 1 1 1 1 1 71744 1 1 83669 1 95353 *1046.2076*@1.0398475 raw intensity 41168 41166 39465 40956 39601 40163 39791 39909 40156 53507 53332 55091 47702 50907 49228 54499 1 56781 45574 46192 42804 35210 37086 38899 48613 49276 48470 28010 28126 28747 34650 33524 36284 17376 1 17792 19594 20240 18323 28113 26908 26718 41679 39876 38907 34975 1 33554 43059 41458 45088 34701 32354 32303 46490 45786 44175 1 15659 15850 30991 30141 30817 *644.0505*@1.04 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *214.2473*@1.0173334 raw intensity 1 1 1 1 1 1 1 16668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10610 1 1 1 1 1 1 1 32354 1 1 1 1 1 1 1 1 48538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10735 10257 *814.0149*@1.0445 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14874 1 15101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *731.983*@1.0375 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4481 1 1 1 1 1 1 1 1 1 1 1 36273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *572.0163*@1.0410001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4042 5264 1 1 1 1 1 1 1 1 1 22254 1 6503 10640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *724.0095*@1.0348518 raw intensity 3380 3785 4006 1 1 1 1 1 1 1 1 1 1 1 7973 16104 1 17988 19069 1 17864 5967 1 1 13881 1 1 1 1 53826 4215 1 7228 1 1 1 1 4468 1 9159 6516 7313 1 1 1 5709 1 1 6618 7850 6619 10222 47725 11116 1 1 1 1 1 1 16357 18148 19232 *598.0034*@1.0485331 raw intensity 1 1 7113 1 1 1 11739 6259 4789 1 1 1 1 1 1 10455 17396 13623 55234 60408 54726 1 1 1 29976 11979 12322 77432 77983 32589 45907 46400 46739 8587 1 15945 1 1 1 14083 1 1 1 16333 1 1 47759 1 1 1 5245 11290 1 9461 1 1 1 14816 1 42436 1 61037 1 *282.2554*@1.0400189 raw intensity 10487 11608 10432 3591 1 1 15845 15555 15161 1 1 1 8721 9273 9649 1 1 1 26710 25554 31080 11422 10367 11193 28376 28468 27693 28749 29781 31102 3777 1 4410 5905 4753 5211 7396 7661 7547 9399 9411 8509 33501 34877 33982 23800 22723 22380 5977 5573 7037 12825 12857 13014 274296 284315 309486 14169 14514 15282 22257 26699 27570 *70.0035*@1.0425 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1633780 1 1 1793338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *82.0371*@1.0174166 raw intensity 1 23823 21746 48321 27662 51730 19546 1 1 1 31484 29394 1 1 1 25538 1 40166 24850 22892 19455 11135 36542 1 1 1 1 29113 1 34219 27151 19959 1 13667 14812 1 19341 1 16132 20289 20603 21069 25703 18400 1 1 18215 1 20003 20669 1 15559 14635 17644 1 1 1 1 1 1 16531 22402 1 *496.0292*@1.0395 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4815 22901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *680.0149*@1.0404999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26106 1 10540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *140.1507*@1.0436667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56978 1 1 1 1 1 42376 1 42147 43601 1 35385 35349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *346.0378*@1.0446222 raw intensity 35640 34505 52511 74738 68972 67733 77474 59087 75464 36253 36362 45944 21201 29670 1 19972 21904 21278 62441 61462 74478 93831 96783 104427 127176 97077 1 1 1 34406 1 15376 15581 1 51797 54208 17833 1 1 1 94449 94314 1 1 1 55339 56371 1 36526 43322 61234 53443 55780 1 1 8038 14381 1 1 1 24285 43773 48913 *800.0046*@1.0387187 raw intensity 1 1 1 1 1 1 1 1 1 7893 14821 8315 1 1 1 56994 53790 66252 1 55868 28759 1 1 1 1 1 49219 49332 23345 55933 7285 1 1 9106 8266 1 8211 9128 1 25856 24823 16163 1 1 1 1 1 1 25063 23247 23546 50396 46074 35203 1 1 1 31949 29522 29240 65840 76120 41142 *140.2126*@1.0436667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10960 9888 1 1 1 1 9638 8787 1 7871 7160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *328.2528*@1.0450475 raw intensity 1 1 1 1 1 1 7939 8354 8936 1 1 1 1 1 1 1 1 1 18511 18344 18154 1 1 1 20101 18914 19740 16947 14816 14621 1 1 1 1 1 1 3552 1 1 1 1 1 19979 1 1 14387 14867 14710 1 1 1 1 8766 9933 1 1 1 1 7694 12174 1 1 1 *480.0249*@1.0281739 raw intensity 4299 1 1 6599 7704 1 6979 5885 1 1 1 1 1 1 1 1 7722 16049 9055 1 3837 4586 1 5125 18291 20124 20633 1 1 4043 1 1 1 1 1 1 3241 1 1 6087 1 7923 5093 1 1 4885 1 1 1 1 1 1 1 7147 1 1 1 1 1 1 15474 6675 1 *810.9805*@1.044 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *799.0311*@1.044 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *280.2386*@1.043813 raw intensity 13963 14418 13517 4392 5430 5778 22411 23014 22431 1 1 1 10095 10459 10419 2946 3372 1 30744 34413 32428 13422 13633 13840 37567 37247 30683 35505 33864 33169 5957 6885 7220 8874 7397 7065 11385 9817 10734 15921 15532 16159 46390 44658 44532 24623 26076 24885 8643 8665 7918 15563 15511 14610 149168 151389 178969 25608 25149 24291 44204 55076 54707 *256.2377*@1.0448927 raw intensity 24490 24295 11484 8432 10322 18565 13788 12273 16039 7544 3603 1 1 6257 14330 9088 1 4484 34716 31332 20509 11671 25766 28343 33807 23346 35157 36142 35778 40712 20188 21225 18376 6671 12565 15547 11877 1 9733 20997 21447 20890 18871 1 40334 24719 9529 9334 16899 14315 17249 10291 6766 13968 1 60454 1 30367 31202 16016 5472 6377 14052 *674.0021*@1.0439998 raw intensity 1 1 1 1 1 1 1 1 1 7244 7098 1 1 1 1 1 15429 1 38650 43670 43453 1 1 1 40133 36831 38113 68301 73375 70459 24200 24926 23874 8024 6610 1 1 1 1 1 12420 11955 17391 16702 18823 35991 34682 35557 1 1 1 8213 1 7536 16603 16242 1 47492 46799 46398 53237 65124 73232 *278.2199*@1.0462 raw intensity 1 4180 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4886 3966 5280 5605 1 5195 1 1 1 1 1 1 1 1 1 1 1 1 7172 8208 7665 1 1 1 1 1 1 1 1 1 1 16019 15650 1 1 1 7882 10507 10605 *252.1938*@1.0446668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7733 8639 9051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *861.9613*@1.0446666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21442 1 1 1 1 1 1 1 1 1 1 1 1 23086 10876 1 12422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23135 1 27017 *466.1595*@1.0463333 raw intensity 1 1 1 1 1 3150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10244 1 5700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *222.1616*@1.0399747 raw intensity 5553 1 57979 9769 1 8355 8338 8212 49965 1 1 1 1 1 1 1 23835 1 1 4421 1 1 1 1 13118 9534 68682 71651 12873 70922 7936 68037 8353 1 1 1 1 1 3408 73169 67515 8966 36280 19588 14594 54205 51728 1 5662 1 6066 4116 1 5330 82657 22899 79977 81089 79853 16550 8634 10959 28255 C29 H6 N4 O15 raw intensity 25383 6792 24802 1 1 1 11559 3358 1 5671 5505 6276 3107 1 8312 1 1 27178 15869 54535 74066 13961 1 1 1 1 23809 17929 16826 16602 52429 7824 8454 1 1 1 4368 4697 4349 1 1 8959 1 1 1 29483 1 1 7882 1 1 61860 43792 76462 1 1 1 1 1 1 27307 16986 19586 *349.9612*@1.0431875 raw intensity 24090 23369 1 1 15118 1 18208 35709 34672 1 1 1 29016 31023 25919 25407 1 1 18928 18986 1 16250 16295 13997 16034 14760 16679 1 1 15669 14035 13807 13212 113278 1 22103 1 33603 32155 24851 23413 1 23645 24675 33102 34170 31706 35123 30819 30327 29094 31385 1 32238 27409 27175 30064 26149 30382 29359 27055 23488 19218 *541.9631*@1.046 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *482.1523*@1.0455868 raw intensity 1 15151 18290 1 1 1 26319 23063 68583 32616 33723 31424 17446 19347 17736 18839 1 1 47156 50721 51847 26424 26561 25107 25351 24614 25959 42106 1 41894 42422 38716 42270 1 1 1 26106 27352 25611 21828 20090 20792 15496 14340 14954 21520 20903 26603 17223 20879 22958 1 1 17048 1 1 1 1 26859 29041 9855 13134 1 *758.1233*@1.0457734 raw intensity 16289 15037 15288 1 18866 14553 13852 14213 13980 18841 18895 19619 19825 20426 19936 16499 19735 16867 19537 22854 12912 23390 22116 24200 21690 22024 23319 12253 11014 11364 17402 19543 17112 1 1 6655 13443 13868 12947 1 4640 1 13968 13713 1 13836 12197 11584 11939 11257 11503 9865 6640 9064 15760 18720 18510 1 1 1 1 9384 12195 *660.0376*@1.0456667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8906 10016 11751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1012.2885*@1.0465237 raw intensity 27170 26726 27126 36508 35507 35333 31744 32906 32543 28291 28018 25954 18699 18619 18667 21591 21687 21713 22915 22483 22097 25388 26202 24882 30466 30643 31419 18405 17528 17334 18695 19667 18786 8831 7504 8685 9998 9924 10818 16288 15111 14830 22484 22129 22830 19070 19380 19695 29719 31004 31534 25176 22968 22303 26468 24024 25253 11921 13336 13698 24968 27404 27987 *348.1774*@1.0522692 raw intensity 5436 4720 1 9301 9033 10015 1 5877 1 1 3482 3571 1 1 1 1 1 6885 1 12220 7357 1 13618 13309 1 1 1 1 1 5376 1 1 1 1 1 1 1 4187 1 1 1 3476 1 1 1 7438 1 8881 6136 1 1 1 3475 3538 1 18964 1 11794 1 6773 3620 1 4414 *519.9037*@1.0522727 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12085 12710 1 7729 1 12050 12243 1 1 1 11004 11907 12883 1 5280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4373 1 1 1 1 1 1 5501 1 1 1 1 1 *700.0193*@1.061923 raw intensity 9034 1 8462 1 1 1 1 1 1 1 1 6921 1 1 1 1 22952 1 1 1 1 1 1 1 31744 7308 1 1 1 8570 1 1 1 1 1 1 1 1 1 33063 28332 1 1 13485 12349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14182 29788 1 1 *572.1954*@1.048 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *248.0518*@1.051077 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3596 1 1 1 1 1 197134 153126 1 9291 28584 29622 18737 40942 43772 221831 1 1 1 146408 8327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265013 1 1 1 1 1 1 *783.9867*@1.0400001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8291 7096 *208.0179*@1.0499367 raw intensity 21280 27787 29055 38923 32375 40630 48670 44322 46009 58543 61098 57923 16740 18713 19306 54669 56412 54856 74428 65067 30867 51339 51825 50415 68415 28362 54711 115277 50064 44118 71829 40931 73285 67075 78345 61745 121696 108783 112088 108704 113191 110701 37314 39571 24671 71998 127931 70240 95344 96548 98152 225564 237225 236926 75750 92537 85880 56013 55114 57625 241902 282973 341047 *386.0043*@1.049 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *877.986*@1.0485001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9994 1 1 1 1 1 1 1 1 1 1 1 1 3613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *490.0267*@1.0512799 raw intensity 43798 43048 1 51169 48334 48210 27749 27794 1 14779 12841 14368 1 24151 1 39144 37525 1 1 1 29116 39520 1 1 54512 1 1 18886 20422 20121 1 11413 1 1 1 1 1 1 1 45006 1 1 1 1 1 1 1 1 1 1 1 35584 35675 36671 1 1 1 1 1 1 1 31067 1 *213.986*@1.1085715 raw intensity 1 1 1 1 1 1 1 1 1 802573 1 1 1 1 517925 1 286050 1 1 1 1 1 1 1 1 1 1 1 4422965 4358885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6247235 1 1 194187 1 1 *448.3415*@1.05175 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4682 4206 4170 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *510.0913*@1.0448573 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3996 1 1 1 1 1 1 1 1 1 42286 1 1 1 1 1 5545 1 1 1 1 1 6866 1 1 1 24083 1 1 1 1 3432 1 1 1 1 1 1 1 22641 1 1 1 1 *574.0068*@1.0501875 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 10462 1 1 13476 1 1 1 1 1 1 1 1 1 19196 1 1 1 13015 14145 1 1 1 1 14168 15586 20956 1 1 1 1 1 1 1 1 14784 1 1 1 1 1 1 42936 41251 43067 31671 26061 21085 *114.0848*@1.051 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40272 1 1 34155 23530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H26 N6 raw intensity 1 1 3342 1 1 1 1 3772 1 1 1 1 4290 1 4011 1 1 1 6277 5717 9302 3320 1 3626 9604 9558 9360 9384 7874 9577 1 1 1 1 1 1 1 1 1 1 1 1 5801 6608 6254 5933 6584 6339 1 1 1 1 1 3646 16721 17546 18844 1 2718 3030 1 5394 6018 *558.0007*@1.0521667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10114 10676 7663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5625 7968 1 7377 1 1 *579.8711*@1.0516 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6946 1 1 1 1 1 1 1 1 1 1 1 3866 6906 5356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 *270.146*@1.0530001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4164 1 1 1 5423 1 1 1 1 1 1 3516 1 1 5051 1 1 1 1 6478 1 1 1 1 1 1 3040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *622.0052*@1.1008 raw intensity 2751 1 16997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8794 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *625.9934*@1.071625 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 8573 1 1 7973 1 61095 1 1 1 1 1 1 1 1 1 4723 1 29042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33465 1 1 1 1 1 1 1 1 58219 1 35481 1 1 *533.9596*@1.0515001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5929 1 1 3104 1 2591 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *346.1625*@1.051 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *705.9826*@1.051 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *633.9747*@1.0476 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9846 1 11545 1 1 3281 1 5664 1 1 1 1 1 5945 1 1 1 1 1 1 1 1 1 1 1 1 4043 1 1 1 20942 17503 17820 1 1 8975 *761.9725*@1.05175 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12078 1 1 1 1 1 1 1 1 1 1 1 4173 1 1 1 1 1 1 1 1 1 1 7163 1 1 1 1 1 1 1 1 1 7454 1 1 1 1 1 1 1 1 1 1 1 1 *856.2846*@0.9971999 raw intensity 1 1 1 1 299578 1 1 1 1 326419 293133 294183 14942 1 1 1 15946 1 1 56351 1 1 141781 1 1 17127 1 20061 230650 39159 1 1 1 226110 1 204771 105615 177006 1 1 1 1 1 1 1 1 1 16144 1 1 1 1 69411 49497 25072 1 1 1 1 1 1 1 1 *784.3858*@1.0106087 raw intensity 47284 1 1 1 18329 1 32694 1 1 24483 1 1 1 1 1 1 1 1 37978 1 4197 4661 7014 6145 1 4320 1 4521 5126 4504 1 1 1 1 1 1 1 55293 1 1 32161 33211 1 1 44655 1 3433 7902 1 1 1 25823 1 1 6261 6135 6936 1 1 1 1 1 1 *1583.7502*@1.052 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *666.0176*@1.0545369 raw intensity 22896 1 1 1 22977 1 1 1 1 58967 53595 57493 28968 1 18070 121828 111805 81187 1 1 1 49007 51871 1 1 145858 105761 77114 1 52582 45651 31260 47088 1 22204 19405 15555 21259 20000 46507 1 49380 30035 29132 28577 1 1 42872 35463 36346 1 33384 62534 73321 1 1 1 41357 39413 42452 79041 102393 98196 *629.9711*@1.0585 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10794 1 1 1 1 1 1 1 1 1 1 C40 H7 Cl N2 O raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 25280 1 1 49200 1 1 1 1 1 1 1 1 84994 92367 88405 16679 26258 15394 1 1 10752 30437 29204 31447 12744 1 1 57695 1 60870 1 1 1 1 22781 1 58791 1 1 42380 55588 38492 1 1 1 40399 39039 41376 48727 37074 33627 *452.3414*@1.058 raw intensity 5951 6761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *238.1911*@1.0525 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6949 6708 5661 11641 10782 10664 5053 4848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *711.9467*@1.0541818 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10931 1 1 1 1 1 1 1 1 1 1 1 27421 17114 13008 1 14628 1 1 1 1 1 1 7932 1 6278 1 1 1 1 1 1 1 1 1 14568 1 14435 1 1 1 1 1 1 1 15414 13240 *227.9859*@1.0515 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689980 1 1414342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *727.9774*@1.058111 raw intensity 1 1 1 1 1 1 1 1 1 32959 38337 1 1 1 4087 1 1 43438 1 1 1 1 1 1 1 1 1 1 1 42709 1 1 1 1 1 1 1 1 1 1 19551 1 1 1 1 1 1 1 33753 1 1 1 34209 1 1 1 1 1 1 1 1 1 54702 *787.9445*@1.053 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27711 10670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25757 1 1 1 1 1 1 1 1 1 1 *228.2483*@1.051 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8032 1 1 7382 7475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *320.1254*@1.0675833 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6989 7430 1 1 1 1 1 1 5044 1 5218 1 4138 1 5338 1 6860 1 6828 1 1 1 6055 12924 1 6599 1 1 1 1 1 1 9455 1 1 1 1 1 1 1 1 1 1 1 *1002.2566*@1.0550681 raw intensity 1 8891 9383 14322 13160 11559 12791 13199 12890 7252 7385 7373 1 1 1 1 1 1 5842 6649 7068 8512 9612 9460 9768 8819 10809 1 4608 5440 4799 1 5593 1 1 1 1 1 1 1 4920 5464 8542 7713 7672 5291 6075 6052 9503 10739 11289 7258 7137 7009 8457 12657 13425 1 1 1 7256 7497 7531 *724.2021*@1.0553916 raw intensity 11892 7980 9609 1 12262 12617 8653 10159 9122 10301 11245 8768 9165 6037 1 7122 8957 8076 10601 10652 9208 10700 10243 1 1 11983 9954 9348 9234 9428 8323 9253 8179 4823 1 1 7218 1 5802 1 1 1 7481 7872 1 7132 6064 7076 1 9673 8474 8633 9811 10036 1 1 1 1 1 3342 9278 10107 9341 *650.3189*@1.0541111 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12057 1 1 1 1 20198 1 10916 18977 11395 1 9658 4957 1 1 1 1 1 1 1 5571 1 1 1 1 1 1 1 1 1 1 1 1 1 8061 1 1 1 1 1 1 1 1 1 1 *484.1341*@1.0536666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6242 1 1 1 1 1 1 1 5207 1 6122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *362.0449*@1.0563332 raw intensity 11089 14216 10086 1 1 1 15536 15236 14166 1 1 1 1 9369 8626 5236 1 1 1 1 1 1 1 1 1 1 1 17679 17997 20994 10001 8046 9140 21133 21524 22262 12397 16484 1 19170 20477 21023 21181 19305 20095 22386 25661 25378 1 13074 1 1 1 1 1 1 1 21663 23162 23688 19011 17300 16884 *438.0343*@1.0604583 raw intensity 1 1 1 8780 1 9522 1 5701 1 1 1 1 1 1 1 1 1 5317 14840 7524 1 1 1 1 1 1 7135 1 8676 8508 1 1 1 8231 8733 8784 1 1 10079 11260 9968 1 1 1 9018 9579 9534 10774 10012 1 9547 1 1 1 1 1 1 9178 8531 9685 1 1 1 *514.04*@1.0600001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4536 1 1 1 1 1 1 1 1 1 6828 1 7420 1 1 1 4573 7500 1 1 1 1 1 5587 12235 7376 1 1 1 1 1 1 4778 4039 1 1 1 1 1 1 1 9655 1 10123 1 1 *364.0937*@1.0555999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8482 9278 8634 1 1 1 1 1 1 1 1 1 1 1 5542 1 1 1 1 1 1 1 1 8608 1 1 1 1 1 1 1 1 1 1 1 1 *472.2461*@1.0782915 raw intensity 12269 13298 1 1 24746 26972 1 1 23197 1 18704 1 1 1 1 1 1 1 13046 16089 21629 1 1 1 1 1 1 19133 24091 18061 1 19329 22788 13595 14776 13317 28903 19581 20561 1 1 1 1 1 1 1 1 1 15699 15885 15072 1 1 1 1 1 1 30586 1 1 1 1 1 *1311.7806*@1.057 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1004.2045*@1.0564082 raw intensity 48243 48406 1 46420 47244 47595 41135 40205 1 1 72920 1 1 1 90618 92102 1 1 56465 52274 54736 51416 1 52201 56677 54999 57131 39335 38032 38635 52641 1 52189 23697 1 23413 1 36142 34774 30454 33344 28714 47997 47027 44753 41089 41338 39275 40403 40747 43185 33321 33330 33121 42075 40242 39982 8197 17850 1 27660 27949 1 *170.2636*@1.013 raw intensity 1 1 1 4028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311059 1 1 50622 1 1 1 1 1 54476 1 1 1 1 1 1 *236.1267*@1.058 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *546.2813*@1.0636 raw intensity 1 1 1 4098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13575 1 1 1 1 1 1 14926 1 1 1 1 1 1 16496 1 1 14265 12234 1 30741 33651 25866 1 1 1 1 1 6512 1 1 1 1 1 1 4582 9332 17749 1 7822 10852 *538.0311*@1.0582857 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13332 44805 25197 43902 1 1 1 44287 1 1 30409 1 30595 17649 28436 50407 1 1 1 1 1 1 1 1 1 1 1 1 1 39895 39483 1 1 1 1 1 1 1 1 1 1 1 1 1 30212 33530 19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate raw intensity 1 1 1 1 1 1 39692 33296 39144 48866 15524 16327 1 1 1 16815 1 71334 27751 31809 37809 1 1 1 38745 37779 35085 32696 30121 28526 14247 16694 15280 36198 33783 36789 28213 25116 32607 1 28252 28191 27343 25741 27182 16028 14524 14570 1 1 9618 20721 19612 21477 1 1 70501 40218 38042 41349 42358 48229 49306 *614.0318*@1.0593333 raw intensity 1 1 1 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 13936 12371 14686 1 1 1 16559 23067 14986 21921 1 22563 6623 1 8916 1 1 1 1 4136 1 1 1 1 1 1 1 1 15925 11930 1 1 1 1 1 1 1 1 1 1 1 1 1 27758 1 *551.9729*@1.0651538 raw intensity 1 1 1 1 1 1 1 1 1 1 16081 1 1 1 1 40360 29968 1 1 20069 1 1 1 1 1 1 32875 28366 28458 17182 17594 16816 14698 26528 38994 1 1 13240 1 1 41745 44222 33469 28316 1 23207 24740 1 54759 1 39387 1 1 56373 1 1 1 1 44501 1 1 34009 29321 *231.0193*@1.0493333 raw intensity 1 1 1 1 177482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6526 *540.0608*@1.0613333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9838 1 1 1 1 1 1 1 5760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4621 1 1 1 1 1 1 1 1 1 1 1 1 1 *480.0893*@1.06 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6084 6183 10025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *192.1144*@1.0627 raw intensity 1 8468 1 1 8140 1 1 1 1 1 1 1 1 1 9193 1 4853 4695 1 1 1 1 1 14720 1 1 1 1 14615 15366 9542 10340 1 6844 1 6956 1 1 1 1 7781 6464 1 1 1 6523 6686 1 1 1 1 1 1 1 8723 8834 10198 1 1 7803 1 1 1 *324.0357*@1.0634723 raw intensity 1 7861 5924 1 1 1 1 13962 5894 4506 1 5337 1 4592 1 1 1 4864 8758 11635 12902 1 20420 1 9051 9412 9498 9204 11298 10415 1 1 9350 4634 1 3961 1 1 1 5587 7162 1 1 1 4907 1 8104 8177 1 1 1 6690 5945 4586 7774 7017 6842 7106 5648 6636 1 6367 1 *651.9671*@1.0636752 raw intensity 1 1 1 1 1 1 1 1 1 49335 46091 29711 10227 8094 1 1 52186 49018 46550 1 1 1 1 1 59395 53502 58997 52772 76009 51564 1 47295 41442 19689 19407 19808 21491 20141 18814 47119 22737 57481 14900 16804 1 1 34862 31803 42944 56812 46350 71061 48322 1 1 1 1 43055 45459 43366 57733 46189 48066 *1043.822*@1.062 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *570.3789*@1.0616 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14676 1 9088 1 5635 1 1 1 1 1 1 1 1 1 1 1 4473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13801 1 1 1 1 1 1 *599.9863*@1.0608572 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18698 21976 1 1 43856 1 1 1 8508 1 1 1 1 1 1 1 1 1 12383 1 1 1 1 1 1 1 1 1 1 1 1 1 29074 1 1 1 1 30580 *499.9869*@1.0631429 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13969 1 1 1 1 1 1 1 15245 11688 1 1 1 18518 18269 17573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41510 1 1 1 1 1 *457.9409*@1.0667499 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9126 1 1 1 1 1 1 1 1 1 1 4287 1 4985 6792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *606.0489*@1.0645556 raw intensity 21134 23410 1 21414 20665 19612 33358 31245 28370 1 35746 35550 20680 13753 21595 31743 1 37366 1 47999 50353 43396 32510 1 92119 1 89840 18057 25509 21218 1 15137 1 1 9956 9887 20279 20665 20896 1 24618 26715 17017 17231 1 1 1 1 25343 1 23864 21097 25687 17645 1 8917 1 15713 1 19224 26091 38270 41983 *575.9804*@1.0643334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18940 1 23606 1 1 1 1 1 1 1 1 1 10649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *500.9803*@1.0658572 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9643 1 9643 1 1 1 1 1 1 1 1 1 1 4545 1 1 1 1 1 1 1 1 4268 1 1 1 1 1 1 1 1 1 1 11632 12129 11438 *139.0266*@1.0644233 raw intensity 116020 114170 101782 78800 76353 76074 1 1 61679 68650 56541 70501 77441 77772 76092 65526 74388 74367 140330 120891 140116 145556 146295 150036 114887 115314 119376 137855 130153 125679 159997 168249 152730 61073 59461 54924 98772 92440 85257 90154 88218 90087 65549 75951 63690 53468 66386 54949 74790 69374 64481 61453 59900 61025 1 45502 1 62215 61798 60570 29575 39935 41880 *718.1093*@1.05425 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13361 11619 1 1 1 1 1 1 1 1 1 6451 1 11777 1 1 12125 16962 1 1 1 1 1 1 1 1 16411 1 1 1 4782 1 1 1 1 *473.9589*@1.0688696 raw intensity 1 1 12719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4200 5324 5933 1 1 1 26678 30063 21056 10970 8589 13618 5332 1 5370 3706 8819 1 1 1 1 1 1 1 1 2795 1 1 1 1 1 1 8795 9645 1 9006 1 1 1 1 5525 9894 6553 7963 8258 *456.1007*@1.086 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *910.2568*@1.0661403 raw intensity 66586 69353 64626 82818 85737 85936 85235 80476 8046 71689 75271 73450 55140 58040 51750 59180 61587 60549 58634 54970 58987 67611 5078 68943 1 1 72666 49310 1 49312 54708 4242 51050 23333 1 24127 1 35834 1 43507 1 37465 54407 1 51657 1 47510 42547 66072 69403 66176 55831 59471 54591 47808 49319 1 39637 1 43286 1 1 57797 *1065.2916*@1.0690626 raw intensity 7105 1 1 10405 9893 9273 1 1 6951 1 4223 1 1 4611 1 1 1 1 1 1 10100 1 1 5268 7139 1 1 5480 1 5958 1 8057 1 1 1 1 1 1 1 1 1 1 6915 6914 7506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *446.1973*@1.0648181 raw intensity 1 1 1 1 1 1 1 1 1 1 12117 1 1 1 1 1 1 1 1 6369 1 1 1 1 1 1 1 18169 15948 15926 1 1 1 1 1 1 1 1 1 1 1 1 25312 1 20359 1 1 1 1 1 1 1 1 5819 1 1 1 14620 1 1 20564 21098 1 *416.0033*@1.0710664 raw intensity 38296 36965 38783 31758 32822 31315 20175 19923 20969 12846 15538 14298 26589 32557 27042 124237 40469 39614 28090 30159 27966 31352 32086 33648 42362 1 49670 30204 36162 31720 22553 20022 17883 26814 26642 26347 1 13486 1 32456 33459 32794 23711 23355 23533 16194 20438 23594 34913 38210 38849 37277 38623 38156 16270 15987 17678 22387 21358 23013 26774 27673 24119 *302.0155*@1.0712327 raw intensity 34440 34727 21081 1 9931 1 1 10142 1 10762 12812 14738 9852 12881 12043 40992 22820 43341 16470 17451 18669 1 1 15257 23704 19307 23496 44544 26540 48211 1 24448 26903 66994 7959 10445 1 5646 5702 12695 12153 10959 1 1 1 1 1 11549 1 13540 15820 1 19080 15284 1 1 1 7222 1 1 27157 12795 17722 *927.2461*@1.0695999 raw intensity 1 1 14505 1 1 1 1 1 20900 1 1 13740 1 1 1 1 1 1 1 11551 10805 1 1 1 18215 1 18366 10702 1 10660 10973 1 9850 1 1 1 7548 1 1 8103 1 8489 1 1 1 10541 1 11266 1 1 16077 1 1 1 1 1 16112 7822 1 1 1 1 16566 *483.9857*@1.0655501 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24249 23394 35847 1 1 1 1 1 1 25791 1 1 1 25685 29326 15890 16962 17935 1 1 1 1 1 1 1 1 1 1 10222 1 1 1 1 16461 1 1 29137 28451 28940 1 1 1 17477 16829 17785 21851 30775 26356 *960.2465*@1.073022 raw intensity 1 39141 40969 1 55749 54209 51500 1 53869 21757 1 21344 15250 15519 18045 1 14599 14140 18217 20985 20413 1 44627 1 46711 1 1 30866 16618 17916 17386 16432 1 7699 8323 8982 11264 1 1 12950 1 12504 20745 36213 1 1 16442 15449 37235 33152 36957 1 32673 31301 46963 46717 1 1 18125 17895 24282 28922 29361 *515.9999*@1.0711668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68325 1 29319 34697 29194 28261 15991 16683 17318 28172 75727 28541 46625 39373 43195 23712 23500 24071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25582 1 69110 13034 81123 13297 1 1 1 1 1 1 1 1 22119 26179 *592.32*@1.119 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6587 1 1 1 1 1 1 9285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1 1 1 1 *594.4836*@1.0641 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7542 12193 1 1 1 1 1 1 1 1 5311 1 1 1 1 1 1 1 1 1 1 1 1 11242 9479 10801 7736 1 1 1 1 1 1 1 1 640407 687774 617142 1 1 1 1 1 1 *731.908*@1.0675 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4832 9690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *729.9584*@1.070889 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9215 15066 1 1 1 9150 1 10228 1 1 18594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7960 1 1 1 8364 1 1 1 1 1 1 1 1 1 9397 11058 1 *492.005*@1.0771499 raw intensity 130531 1 90695 78859 106619 79736 52599 57186 50029 49334 54090 47682 80326 63265 71910 1 1 76752 61621 68861 63931 107444 82891 109756 181750 169367 173818 54147 54507 56720 39390 34925 40166 61247 60535 60406 39483 31298 33684 51023 110821 131082 72012 81111 81063 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77634 41234 35214 1 43851 38447 28222 1 17894 42597 12109 1 34909 1 11113 6024 35563 36781 35468 26719 33650 42951 107932 81907 86341 37768 33582 29432 1 1 16634 12890 33535 26127 176311 1 201125 104127 33476 87530 1 73372 1 *438.3319*@1.0746137 raw intensity 1 6646 1 9097 8958 17841 12648 4350 1 1 1 1 1 1 1 1 1 1 1 34875 16863 7949 1 1 13299 13804 5699 9781 10187 12612 1 8516 18059 7903 7522 5154 13417 9567 7725 9960 21220 7808 19177 21594 19733 1 14255 11949 9841 19042 9436 22715 10794 23430 1 48462 1 18469 14555 20887 33950 17649 39703 *196.1407*@1.1115556 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18596 1 1 1 1 1 19434 15746 1 1 1 1 1 1 1 1 1 11820 12863 19009 4887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19538 30378 *553.965*@1.0785 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 5419 1 1 1 1 1 1 1 1 1 1 1 1 16471 1 1 5480 1 1 1 1 1 1 1 1 1 1 1 12908 1 13260 13968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *398.3204*@1.075 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *490.3565*@1.086 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9402 1 1 1 1 1 1 1 46753 49490 48726 1 1 1 1 1 1 *555.9924*@1.0695 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4314 1 1 1 1 *337.9885*@1.0755 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4296 1 4181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *518.3791*@1.0787499 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7046 1 1 1 1 2675 1 1 5509 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *743.9976*@1.0817 raw intensity 1 1 1 1 1 1 1 1 1 1 6633 1 1 1 1 1 12765 12758 1 1 3810 1 1 1 1 1 1 8887 6325 6470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7736 1 1 1 1 1 1 1 1 1 5017 3356 1 *378.0136*@1.0762187 raw intensity 25736 21227 14866 1 1 1 1 1 1 17238 40799 34190 7658 7321 10901 25047 44497 1 18939 1 22682 12798 12063 13292 41020 1 65893 23511 1 21789 9750 18783 1 11942 1 1 1 1 1 1 1 29239 1 1 1 1 1 1 13099 23668 12655 1 17961 16137 1 1 1 13330 14259 15066 1 1 1 *373.1684*@1.076 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3258 3848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *332.2014*@1.0788001 raw intensity 1 1 1 4890 1 1 5212 1 5428 1 1 1 1 1 1 1 1 1 1 7053 5817 8478 1 1 1 1 1 1 1 9437 6221 1 8512 1 1 1 1 1 1 1 1 2344 1 1 1 1 1 1 1 1 1 5123 5809 4135 1 1 9162 1 1 1 3758 1 1 *668.0058*@1.0737998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11348 1 1 71668 1 1 1 1 1 1 1 1 1 1 37065 53965 1 18383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *591.9978*@1.0749269 raw intensity 72738 1 73730 1 35328 1 1 63835 39129 1 137258 96048 70118 1 45121 194835 1 220218 134398 183941 1 86453 111935 91205 185376 239480 250915 1 1 222272 100791 1 1 31821 1 1 40526 1 39927 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1 1 1 40022 39455 38661 1 1 18454 18957 11679 13800 16505 21591 22440 21210 1 1 1 32466 37787 37738 21523 1 27106 1 1 1 11935 11367 1 20659 1 1 18569 17751 17881 1 1 1 21616 17789 25182 1 1 1 1 1 1 1 28526 1 14479 21941 21322 21793 20438 20692 *540.4339*@1.0789523 raw intensity 8115 8688 7226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16897 1 3372 6956 1 6505 1 1 6010 6931 1 6798 6277 1 1 1 7299 1 1 1 1 1 1 1 1 1 8900 1 1 1 3619 4274 6410 4598 200462 196862 197595 1 1 9545 1 1 1 *390.2551*@1.102 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5648 21322 1 1 1 32631 1 4824 5515 5768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7027 1 1 1 1 1 1 1 1 1 1 1 1 1 7271 1 1 1 *470.37*@1.0780001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 1 1 1 1 1 1 1 1 1 3552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38346 1 1 1 1 1 1 1 *142.0012*@1.0814286 raw intensity 9392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20352 20550 21125 12391 1 1 8166 7851 8080 1 1 11009 1 1 1 1 1 1 16282 14688 15616 16487 17286 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28105 1 1 1 23572 24388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *300.2604*@1.0786897 raw intensity 11766 1 1 1 1 1 15801 15886 16200 1 11542 11294 1 14281 14017 1 7826 10267 1 1 1 1 1 1 30709 1 27362 22977 22272 25216 1 1 1 8997 1 1 1 1 1 12694 13585 14007 20108 18011 18263 1 16151 1 12662 11175 14138 1 1 1 1 63338 60626 1 1 24526 1 1 1 *413.3466*@1.0832307 raw intensity 1 1 1 1 1 1 1 3140 3047 1 1 1 1 1 1 1 1 1 21899 20005 20501 1 1 1 1 1 1 1 5727 5145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10061 8650 7912 1 1 1 1 1 1 1 1 1 7498 8629 9730 1 1 1 *512.4064*@1.0890733 raw intensity 13279 13621 1 1 9326 5603 6815 7219 7329 1 1 1 1 5484 1 1 1 1 1 19642 1 10573 11799 12900 9820 10142 13439 7892 14402 10013 11918 10568 1 4797 4805 3661 14795 12447 1 1 11220 8964 24608 26202 23250 12776 1 1 10227 1 11567 23686 19385 17636 190016 189614 187895 1 1 1 12804 1 14430 *242.7637*@1.0895001 raw intensity 1 64721 1 1 1 1 1 1 1 73198 1 1 1 104779 83452 1 128413 1 85740 105659 1 73094 91535 1 86077 77883 1 82038 83402 93568 91951 101445 99735 1 1 1 1 64975 87362 50272 1 67383 56679 66039 79591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88849 114617 *608.0166*@1.0666667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17922 1 1 1 1 1 1 1 1 1 1 1 1 6211 1 1 1 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 *480.3346*@1.13025 raw intensity 1 1 1 1 1 1 1 1 1 1 9722 10276 1 1 1 1 4739 1 1 1 1 1 1 1 1 1 1 1 1 3451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *631.9468*@1.126 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5637 1 1 1 1 1 1 1 1 1 1 16533 8841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *440.3444*@1.0819476 raw intensity 7576 12373 9780 7865 9647 1 1 6464 6745 1 1 1 1 1 1 1 1 1 17598 1 16442 11807 11330 12815 14699 14051 15452 1 10931 13632 11080 11245 1 1 1 4534 1 12476 11184 13955 1 11870 21811 21425 25783 13077 17715 10728 7904 1 9596 1 10895 1 1 75280 1 19046 21382 20143 1 10703 1 *298.2473*@1.0820371 raw intensity 30238 1 31432 17297 8395 17049 58066 56541 60554 38061 24385 25016 42547 39767 39284 41830 37668 41301 60827 60022 62961 1 1 1 75431 67611 66992 72587 71978 73664 1 7832 19711 15134 1 18014 13411 15697 14885 32575 33269 34142 59403 55774 55104 1 1 1 34121 32413 36407 105166 99005 105806 59363 62842 40691 54120 50460 38694 130093 189208 164420 *568.0141*@1.0876666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47543 1 1 1 1 1 1 1 1 1 1 1 11207 1 9716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *344.2315*@1.093 raw intensity 29719 32296 22027 12376 11839 1 1 1 1 1 1 1 15515 11902 13990 1 1 1 38690 40085 35445 31212 29548 25862 43562 42802 44648 14697 16174 18018 14251 16619 11786 1 3456 1 13967 1 1 1 1 1 15138 20418 19965 1 1 1 10319 1 8665 1 1 1 1 1 1 1 1 1 1 1 1 *122.0365*@1.0858202 raw intensity 67801 67703 69101 7869 63702 64489 72086 72788 5548 40962 39323 1 53562 1 49155 79668 82941 88937 98193 103945 108519 102269 105519 108534 136442 138917 143221 130299 134154 126973 133941 142660 138159 64045 59156 55200 73702 75656 75514 70289 68278 70340 108954 106186 105295 79397 75894 76077 70481 70642 70152 69920 68231 69658 59686 58219 64328 83707 79452 82310 66829 100327 106892 *535.909*@1.1027143 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45072 21638 15367 1 1 1 5109 1 1 36879 1 12523 *364.2459*@1.0977333 raw intensity 10500 12029 5485 6572 16373 7695 7065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9954 1 1 1 1 1 10893 9698 19083 1 5249 4595 4528 1 1 1 1 5581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *619.959*@1.072 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4232 4726 9835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *644.244*@1.0923333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 7058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6457 1 7963 1 1 3177 1 1 1 1 1 1 1 1 1 1 1 1 5213 1 5047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *179.8239*@1.096 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13695 1 1 1 1 1 1 *856.2382*@1.0965999 raw intensity 1 1 1 10720 1 10429 1 12619 1 4522 1 5107 1 6728 1 1 1 1 1 1 1 1 1 1 1 1 6395 1 1 4259 8214 8809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *462.3256*@1.0876666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3432 1 1 7112 9476 6887 8817 1 7328 1 1 1 1 1 1 1 4373 3511 1 9771 1 11086 9386 1 1 1 1 1 1 1 1 1 1 1 12669 22898 20771 1 14731 1 *320.2335*@1.0933225 raw intensity 99644 103679 80534 1 59922 55621 1 1 1 1 1 1 1 1 1 1 1 1 193904 149403 172682 146350 116620 115224 206181 207217 213310 112640 113664 113015 132117 135934 132748 1 1 1 61103 56697 57570 1 1 1 113908 107276 90362 1 1 1 56389 57868 55127 59376 1 55691 1 1 1 1 1 1 1 1 1 *538.4197*@1.0906864 raw intensity 12466 10943 1 10715 10613 10774 7422 7229 4403 1 1 1 1 1 1 1 1 1 32242 33339 20873 11233 13567 12719 14761 9448 14184 18284 1 13673 17971 11410 14860 3981 3841 4281 13337 18370 16638 14191 12460 11723 32884 32157 33429 24540 19145 26610 7303 6360 6431 7737 9613 1 135394 132663 134627 24810 29636 21437 22380 24718 24320 *220.0377*@1.0943531 raw intensity 1 6356 1 1 1 1 10009 1 9079 7422 1 1 11569 1 1 1 1 1 1 9253 1 1 1 1 1 1 1 1 1 16697 1 1 1 5390 1 5859 1 1 1 1 1 1 6421 1 1 8393 8025 7607 1 1 1 1 1 1 6713 6827 1 1 1 6463 1 1 5961 *386.1759*@1.0906391 raw intensity 1 1 1 162419 158980 160828 237857 253905 290168 1 1 1 1 1 1 1 1 1 208103 230197 207720 132660 145678 135540 191094 180137 190476 172258 168066 166326 1 1 1 1 1 1 203001 200755 189386 156808 148144 143106 132947 127654 138567 134624 123524 125112 1 1 1 1 1 1 1 1 1 434749 445608 401481 333013 411384 389478 *288.0395*@1.098 raw intensity 1 1 1 1 1 1 1 1 1 4648 3864 4161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6552 7442 7615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *510.1219*@1.0764999 raw intensity 1 1 1 1 1 1 1 1 18286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *128.0236*@1.097719 raw intensity 1 1 1 1 1 1 9788 11809 11365 13762 1 15358 19374 1 1 10871 10481 1 1 1 26344 18499 16908 20346 1 1 20081 1 24249 26644 1 22179 26834 13762 1 10792 1 1 19425 15573 1 1 13257 12420 1 1 14051 14234 1 15013 1 11548 1 9103 1 12406 1 17365 18880 16546 1 1 1 *868.2465*@1.0917026 raw intensity 6803 54317 56536 7950 75851 77603 1 66768 64997 70504 73500 9463 55568 53650 51819 5478 6403 1 1 53208 1 5645 9330 7779 61539 6068 63358 53105 52159 51472 56011 60360 6244 1 1 1 1 45959 46589 1 1 35127 1 45665 5483 43364 41576 1 5305 49779 51979 5152 4498 46080 1 1 1 4009 3759 41301 1 3738 4737 *270.2109*@1.0969334 raw intensity 1 1 1 1 1 1 8473 1 1 7423 1 12336 19367 1 13023 1 1 1 1 1 1 1 1 1 14923 16787 15698 8687 1 10782 1 1 1 1 1 1 1 1 1 18435 11685 1 1 1 1 1 1 1 7705 1 1 1 1 1 5692 1 1 1 4372 1 1 1 1 *430.2694*@1.0952451 raw intensity 158588 162277 162758 125115 126419 129497 103883 108952 105062 1 1 1 109839 82834 84370 1 6374 1 53797 54624 54807 293994 294399 302444 58820 60283 59186 57052 56087 57713 1 1 35491 19301 17418 18864 1 1 27489 40506 37390 37676 38443 38177 39368 48375 52038 50422 31027 30086 34174 1 1 1 1 537582 1 43267 41398 43005 37590 44706 41298 *179.092*@1.163 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5522 1 1 1 1 1 1 1 1 1 1 1 6202 1 1 1 1 1 1 1 1 1 1 5841 1 1 1 1 1 1 1 1 1 1 5085 1 1 1 1 1 1 1 1 1 5429 1 *945.2581*@1.0984223 raw intensity 1 1 13746 21635 20980 20793 1 1 16328 16203 16800 1 9720 11385 10637 1 11624 11614 1 13186 12975 1 16050 1 1 15176 16451 1 12438 13425 15623 1 14587 5286 5708 4933 12245 10863 11263 10057 10433 9811 12878 1 12183 9735 10986 10920 1 1 14596 1 13538 14749 1 13736 14760 1 9124 8899 11407 12838 13845 *300.0344*@1.082 raw intensity 17977 18108 11457 1 24580 23881 25198 18720 20138 16319 14487 14811 12304 13757 12121 11143 17329 17262 14764 16923 18763 46457 20226 22293 37543 33229 36242 8998 8694 12617 30711 1 6963 4959 1 1 7265 27721 1 102254 15460 1 1 1 66634 1 1 57066 8364 9982 11404 9770 10081 54327 17957 14324 1 1 1 48287 1 1 1 *724.0205*@1.0683333 raw intensity 1 1 1 1 1 1 1 1 1 7271 6019 5029 1 1 1 1 1 1 1 1 1 1 3886 1 1 1 1 8073 1 7701 1 1 1 1 1 1 1 1 1 1 1 1 1 5749 6013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6955 1 1 1 *464.0157*@1.0943431 raw intensity 7391 8315 7640 1 4932 1 15260 15374 14437 9562 1 9169 7324 7298 6814 5772 1 6463 25475 24732 27510 15709 17190 17738 1 1 10076 37742 38681 39429 19195 19878 19586 5578 1 1 1 1 1 1 1 4720 1 1 1 14127 1 16010 1 7107 1 1 1 1 1 1 1 5697 1 1 4953 1 9689 C30 H20 S5 raw intensity 1 1 1 1 1 1 9824 10053 1 8170 1 1 1 1 1 5872 1 7577 22199 27598 26950 1 1 1 16419 14268 17047 39646 42673 44658 1 1 1 5731 5345 4806 1 1 1 5797 5167 4705 6548 1 7986 19359 19515 18472 1 1 1 1 3718 1 1 1 1 15798 14700 12562 9905 14670 14968 *456.0354*@1.0999999 raw intensity 1 1 1 1 1 1 1 1 1 1 4740 5540 1 1 1 1 1 7941 1 1 8633 8353 9914 10456 7658 1 6279 13673 14255 14158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *532.0298*@1.0991166 raw intensity 31324 37693 36691 23104 22731 20795 44987 45842 47473 76853 77358 72335 35970 34771 34632 65037 1 83879 74346 73499 76689 100436 97933 99672 116649 114542 122352 84959 89586 93019 49839 56662 52555 16610 15045 14490 18677 17054 16214 31816 27626 30604 17881 16110 16548 26592 1 27939 31229 27527 1 30193 29569 28507 8942 9173 7518 20503 21781 20421 25162 33428 38374 *242.0485*@1.1012399 raw intensity 15969 14182 15679 1 1 1 1 1 1 8073 10178 8538 10923 12125 11802 9175 14336 10124 1 1 9491 21648 21492 20184 13656 14021 15010 17784 16278 16563 1 6185 7200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *980.3461*@1.1025 raw intensity 1 1 1 1 1 1 1 2658 3099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4836 1 1 1 1 *918.2388*@1.1022646 raw intensity 41854 1 1 1 60994 63117 55721 1 59717 1 50751 1 40146 1 1 1 23925 1 1 1 46433 1 50961 50695 1 1 51564 41905 1 40627 48346 1 43920 18362 12642 1 33134 37015 36500 29154 1 1 1 38496 1 1 33554 1 1 1 39305 39243 36399 1 1 53324 53745 25273 26555 24843 29099 32073 1 *611.9057*@1.105524 raw intensity 1 1 1 1 1 1 1 1 1 1 1 10102 1 1 1 1 1 1 14508 1 20709 1 1 1 1 11586 13620 18598 19862 14278 1 1 35878 9762 9677 1 1 1 1 19121 1 1 14137 14258 1 5442 1 1 11747 1 1 46692 31145 1 1 1 1 1 1 1 19059 12422 26142 *502.9563*@1.1097779 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5500 7064 1 1 1 1 1 1 1 1 8069 1 7500 8028 6605 7138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8033 1 1 1 1 1 1 1 1 6507 1 1 *147.0338*@1.1012143 raw intensity 5299 1 1 1 1 1 1 1 1 1 1 1 3922 1 1 1 1 1 1 1 1 10479 9174 9695 1 1 1 6335 6654 5631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10700 10113 13273 1 1 1 1 1 1 1 1 1 4176 1 1 1 7181 7265 *272.229*@1.101 raw intensity 1 1 1 1 1 1 1 1 1 12629 14543 13669 20562 19328 21454 1 1 1 1 1 1 1 14826 14218 38537 24197 42079 35655 32286 34366 1 1 1 1 1 8177 1 1 1 19855 19242 17581 33184 33424 32251 7291 1 1 12713 13357 15320 1 1 1 1 1 1 1 18798 19409 1 1 1 *432.0361*@1.1030173 raw intensity 81053 77837 77949 90570 85779 85640 62716 58812 56167 44313 43631 41774 50207 56332 57253 57278 58527 56645 39097 45025 37509 92463 99292 99326 100129 92500 89502 33529 32250 33880 18649 16861 17781 38617 37683 35588 21377 20675 19846 57180 54447 1 34466 33524 32777 30507 30778 29335 49344 54244 49312 48523 44683 47081 1 1 1 31465 31496 32079 23243 26609 23345 *359.037*@1.105 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *536.4024*@1.112125 raw intensity 1 1 16128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6665 1 3091 6112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6608 1 1 1 1 1 1 52550 60824 54223 1 1 1 1 1 1 *358.2006*@1.1171765 raw intensity 6613 1 7113 5304 1 1 1 1 1 1 1 1 9511 1 1 1 1 1 1 14370 15913 18605 1 1 16414 18308 8638 1 17465 17555 22628 3179 14219 1 1 1 1 1 7614 1 1 1 10626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *712.2064*@1.110077 raw intensity 1 1 1 1 1 1 3766 1 3820 1 5361 1 1 1 1 1 1 1 1 1 1 1 3128 1 1 1 1 1 5180 4086 5895 5043 4853 1 1 1 3819 1 4434 1 1 1 1 1 1 6266 1 4787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *287.1317*@1.1256666 raw intensity 1 1 1 1 1 1 1 1 1 8453 1 10239 1 1 1 1 1 1 8126 1 1 1 1 1 1 1 4134 1 1 3959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H28 N4 O3 raw intensity 1 19481 1 1 1 1 1 1 1 1 1 1 63907 1 52030 1 1 1 1 1 1 91260 98216 97590 1 1 1 63464 57852 70885 71231 55757 81697 1 1 1 1 1 1 59712 66818 56086 1 1 1 37438 44474 1 77988 1 56875 1 1 1 1 1 1 64025 1 59413 1 1 1 *456.3304*@1.1266251 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4488 1 3229 1 1 6308 4130 1 4099 1 4020 1 1 1 1 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19006 1 1 1 1 *520.356*@1.11 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *569.9954*@1.1162502 raw intensity 1 7380 1 1 1 1 1 1 1 9922 6908 1 1 1 1 1 17775 1 1 1 1 1 1 1 1 1 1 4387 9254 10341 1 1 1 1 1 1 1 1 1 17451 12895 9610 1 1 1 1 1 1 1 1 1 1 20943 1 1 1 1 7677 1 1 1 1 1 *580.1639*@1.1085999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65838 1 1 1 1 1 1 1 1 73331 71193 6297 81880 81880 1 1 1 1 59897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49782 42585 1 1 1 1 1 1 1 7440 1 *145.0523*@1.1105399 raw intensity 47660 48842 50341 32981 34059 34772 48779 50192 47506 39350 39178 36874 18984 18646 17964 61718 64640 69095 115233 117870 113158 101498 98434 103498 143441 147449 144628 101047 99499 105004 126293 127656 129955 57475 54967 52325 92408 89874 88799 61256 66873 62086 77795 80378 81699 153141 153188 154217 48394 49882 50963 46446 44177 45249 66732 60228 68263 132231 131770 134357 149711 219182 237954 *460.2105*@1.133 raw intensity 1 1 1 1 1 1 1 1 1 33119 34491 32298 14545 9933 6321 23841 22476 23987 1 1 1 1 1 1 1 1 1 24365 24111 24242 33403 28355 32152 51875 51465 52016 1 1 1 1 7486 1 131625 125138 131532 1 1 1 1 1 1 25641 1 30892 1 1 1 1 1 1 1 1 1 *664.053*@1.1119092 raw intensity 1 1 1 1 1 1 1 1 1 8880 1 8470 1 1 1 8360 9260 9513 8029 7991 1 8884 1 1 1 1 1 7322 7357 8483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H40 N6 S3 raw intensity 42973 38865 43590 1 1 1 100815 75148 74553 1 1 1 53305 49699 55892 136993 135203 140345 45642 45610 40285 83296 99036 100568 218538 239950 243409 68657 66095 65880 79392 72845 65622 38553 40496 39978 1 1 1 37261 39527 34644 1 49526 1 75993 1 61480 1 1 1 63265 57925 64132 1 1 1 89514 87449 89528 50024 47130 59309 *508.168*@1.1056271 raw intensity 18028 19409 23402 1 20467 17709 27699 28609 27328 34906 33851 36716 26079 25247 25239 26817 30050 29896 37601 38050 37037 39477 39939 53983 48550 47664 50851 48734 50208 52560 50304 60342 51311 11147 9651 9939 23307 17301 17620 1 15436 17547 11905 12959 1 23532 22827 23565 16812 18271 17191 13793 16032 15842 1 5712 5256 13116 14855 13320 11621 15661 19487 *286.2128*@1.1139287 raw intensity 13502 1 12930 11494 12570 11303 1 89204 77046 12106 10986 9610 22798 1 19477 1 54752 54770 20790 21841 22518 20467 17522 19270 44371 45740 54061 18670 18804 17475 17289 16351 17631 9805 10520 11674 1 13317 1 1 11994 1 54109 1 1 12446 15403 11987 12913 1 12365 1 1 1 1 1 1 21305 18673 1 1 1 1 *630.1558*@1.113593 raw intensity 36852 33611 34901 49282 49155 50360 49865 50446 52812 42507 40764 41668 29607 34563 34981 29368 20821 32889 46323 47485 44266 38590 41346 39596 44935 40400 45131 50595 49730 46770 1 50938 54515 20833 20022 21225 40250 38732 39496 36906 1 36653 29548 1 32968 34837 32892 35497 37332 33127 40065 32871 1 37235 39655 42809 42208 25621 26298 25978 27003 28256 28316 *657.173*@1.1116112 raw intensity 14875 13702 14578 19488 17566 20395 18866 17476 14484 16122 15479 18030 1 12300 13205 13178 12479 12489 15359 1 15651 14375 17073 14361 1 13825 1 18482 16887 18428 19664 17431 17236 7593 7216 6229 13837 12317 11443 14116 12757 14008 10733 9768 10354 12587 12379 12671 14401 1 14188 13271 11878 13067 9410 1 1 8742 8187 8327 1 1 12604 *222.1504*@1.1168333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11403 1 1 1 1 1 4350 1 1 1 1 7861 1 1 1 6911 1 1 9497 1 1 1 1 1 11062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *740.0399*@1.0454737 raw intensity 9280 1 1 1 1 1 1 1 12214 1 1 1 9031 7490 8426 1 1 1 16614 47569 45185 1 14622 1 1 1 1 1 4896 5197 1 1 6227 11615 11135 8980 9387 1 11284 23165 1 1 1 1 1 1 1 1 22847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *294.1821*@1.1147739 raw intensity 190251 163772 163825 236253 244009 244413 218482 209523 221487 150532 150098 146521 173937 165370 165572 139117 131703 146410 255194 251644 189851 221633 218693 238099 205252 241022 209675 167781 220909 225107 243842 231836 201953 83963 74498 84722 129533 130221 126284 163874 146031 150964 126721 120566 129468 177296 192289 187598 140178 114267 115119 170338 134654 115932 493296 488082 1 105321 120806 93257 145694 188853 167304 *264.1356*@1.1145227 raw intensity 11073 10929 9171 11178 12277 12768 7727 8098 1 3071 1 3728 1 1 1 3695 1 1 1 1 5521 1 1 1 10629 12111 13407 10761 12599 12175 14638 22895 16407 4105 4835 4761 9225 8513 1 18244 19262 17282 12916 12353 13166 11852 13750 15283 10209 9310 9442 1 1 1 14762 16088 15990 13531 15300 14408 1 1 1 *517.9793*@1.1117172 raw intensity 24432 24402 19721 1 1 15332 1 21173 23224 1 58566 55485 21161 19142 22458 1 1 87038 86869 91149 91769 44462 39319 46658 107122 107137 114659 107144 110212 109278 115403 124109 129017 25560 21295 23632 1 22510 21160 25019 31406 29484 22450 23219 23340 46522 43083 44038 38675 37171 1 57632 50615 45215 1 9296 1 32376 34566 31865 68389 59256 84878 *475.9377*@1.1275417 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9978 12832 10020 14425 17550 58023 1 1 1 1 1 1 13399 1 10839 17910 15595 27729 1 1 1 1 4519 1 1 1 1 5662 1 1 1 1 1 38125 1 6596 9358 15757 42108 24611 21296 18663 1 1 1 21214 17664 16954 *408.1748*@1.1130677 raw intensity 88033 103212 86254 117189 111830 114943 78775 77705 1 45012 46914 46951 89280 1 84672 40506 36473 34135 35545 39331 36491 68131 61520 74011 68334 70228 70048 35828 35322 26834 30742 31966 31046 43852 38357 41120 54186 51327 49928 63866 61684 76364 61836 58401 54928 56572 54600 1 70989 63500 58683 43468 42770 43432 87318 91867 95366 1 53563 50870 33241 27576 28219 *303.9917*@1.1169682 raw intensity 37225 35760 38585 50051 30822 65998 26435 24931 28100 42682 42555 41894 26330 26579 25912 65914 124502 60422 122237 54251 51774 92561 70060 44641 86435 87749 90894 59208 134658 60581 64063 65474 64545 40236 37936 37204 27008 22983 40380 37932 41221 40339 56391 55627 35751 45975 48465 47096 55128 47864 48991 56612 64070 58064 53066 47907 50647 45959 46769 46748 42025 47874 51833 *450.1697*@1.1142942 raw intensity 1 1 1 23423 1 1 20805 19437 22807 1 24022 1 1 1 1 1 19177 1 1 1 1 24247 1 1 28801 1 1 25334 27452 32430 1 1 1 1 1 1 1 1 1 26127 23708 20417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14264 1 1 10752 9468 C10 H22 N12 raw intensity 30013 31543 27345 32579 32826 31406 1 1 1 12797 14295 15908 22535 22671 21948 49936 51412 1 64401 58446 63606 45481 46779 47628 69182 70797 68475 37005 36945 33598 41584 43967 40466 16538 16550 16370 37025 37450 1 34904 40703 35838 1 1 1 32402 36006 35308 31201 27461 29634 1 1 1 45749 45774 65157 45009 1 1 1 1 1 *482.3549*@1.1302648 raw intensity 5172 1 1 30365 27498 1 14996 1 15737 1 1 12787 11322 10950 15219 1 3190 1 59826 1 34951 1 70572 35712 1 44361 44608 1 17504 20408 1 28459 1 10238 10284 11202 12047 17310 29079 28999 32417 32010 62438 1 1 1 1 1 1 18662 22742 1 1 1 101881 93099 92547 1 1 1 1 1 1 *209.0168*@1.117 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *551.9462*@1.142 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8090 1 20177 1 21583 1 1 1 18222 18910 11843 1 1 20119 21364 1 26916 1 1 1 1 1 1 1 1 1 1 10922 1 1 9529 18901 28634 1 7093 33114 15071 1 1 1 1 1 1 1 1 1 1 *536.0718*@1.112 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3312 1 1 1 3693 1 1 5842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *242.1795*@1.1238889 raw intensity 1 1 1 1 1 1 1 1 18134 1 1 1 1 24933 1 1 1 1 1 1 1 1 13548 7028 1 41726 22801 1 11222 18614 1 1 1 4012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *417.9839*@1.1138277 raw intensity 1 1 51665 45687 49031 1 36974 34577 1 36046 37515 36256 1 1 1 1 87659 75475 63645 1 55127 1 1 54404 91073 93645 97476 50537 57822 46618 64119 63149 57533 70098 65796 1 1 1 1 58733 1 1 1 1 1 49379 1 1 1 1 1 1 1 1 1 1 1 65348 1 1 67515 1 56764 *196.8173*@1.1204591 raw intensity 587391 619115 558347 514187 520893 628083 784476 761178 796737 622935 585820 494364 520542 636710 486050 1 504844 699092 486713 585698 640315 1 938930 782262 699685 712843 677816 604069 584109 609294 571771 651173 641690 655171 682046 674768 551131 562412 668434 559629 599335 697315 671304 652250 854884 660161 424491 520380 454897 518983 448928 371175 493507 542949 570381 640326 700646 597660 517236 330814 625082 977162 1133133 *1128.3325*@1.1231283 raw intensity 41227 30425 33554 34066 47252 33913 1 9625 43651 42308 41128 39949 1 32377 1 1 35090 35318 29864 1 1 1 50372 26684 1 32265 25773 21785 1 22899 45029 38109 1 1 1 1 12419 1 19583 14542 1 21328 1 1 22345 18826 1 14594 29087 1 1 1 19139 22314 1 1 46407 12802 20123 1 19140 20958 20045 *198.1084*@1.12 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22338 16474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *600.1754*@1.122 raw intensity 8150 1 6530 1 1 1 1 1 1 10945 1 1 1 1 1 1 6471 5440 6268 1 6678 6277 1 4275 4117 1 1 1 1 5337 1 1 7903 1 1 1 1 1 1 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4704 3798 1 5076 1 *308.1928*@1.1302727 raw intensity 1 1 1 1 1 1 1 17087 1 1 1 1 1 1 1 1 1 13094 20726 1 19914 1 1 1 25181 20626 1 1 1 8562 1 1 1 1 1 1 13489 1 1 1 1 1 1 1 1 12113 1 1 1 1 1 1 1 1 1 49418 27237 1 1 1 1 1 1 *464.8333*@1.1213045 raw intensity 12784 9866 10999 11907 9807 11870 8841 9343 1 1 6970 1 1 5941 1 12976 13401 16003 22740 18290 27329 23944 25178 24428 40744 39491 38883 1 22102 17663 23606 1 25696 8923 8089 11636 1 6031 1 10440 1 13182 13527 13757 14992 10141 1 1 1 17991 15779 18804 1 22405 5217 14914 1 18168 15115 8764 1 19323 1 *540.8602*@1.113 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9730 1 1 1 1 1 1 1 7291 1 *486.029*@1.0832857 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10980 1 1 3865 1 1 1 1 1 6049 1 1 1 1 1 1 1 1 1 1 1 1 6646 7207 43321 1 1 1 1 1 1 1 5437 1 1 1 1 *547.9462*@1.117 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7859 1 11537 1 1 11095 3250 1 1 1 1 1 1 1 1 1 8367 7977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *316.2507*@1.125 raw intensity 1 1 1 1 1 1 23624 26468 13556 9264 8305 9288 9197 6491 1 1 10709 10624 12471 35915 15301 1 1 1 53288 1 46508 23075 29188 28661 1 1 33229 1 3120 1 29351 1 26684 1 1 1 1 1 1 7157 4975 1 21476 5965 20573 29691 11448 26339 1 1 1 1 1 1 1 21595 1 *361.9975*@1.13 raw intensity 1 1 1 1 1 1 1 1 1 6501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *349.9918*@1.1258183 raw intensity 22330 21717 1 1 18026 1 1 1 1 1 1 1 1 1 1 1 1 43913 1 33167 36005 1 1 26452 58625 59373 61013 40548 1 37182 39927 34718 37554 1 1 1 1 1 1 1 1 1 29357 28587 26387 1 1 1 1 35261 1 49348 46388 49779 1 1 1 1 1 1 1 1 1 C12 H9 Cl N4 S3 raw intensity 17936 16877 19817 18584 18491 1 14039 20281 14336 16451 17296 17319 9589 10602 13555 23087 23610 22799 1 40146 30442 1 30550 32945 53686 44757 54992 35322 1 37081 45033 31513 43093 23339 23327 16848 1 11254 1 21962 14981 20084 1 1 19742 17210 23736 27217 27380 26493 14535 46735 37933 46435 1 1 1 18176 18689 22590 38020 31860 43836 *352.0992*@1.1268919 raw intensity 21211 20783 19392 1 1 23867 23330 21026 25133 24934 1 1 1 18013 15533 19092 1 1 20305 20007 1 1 14702 12719 1 1 18484 1 18555 20489 1 1 24342 9116 8692 10050 1 14700 1 17503 18616 18318 1 1 16484 17234 18571 17977 1 1 1 11588 1 1 1 1 1 13527 14620 13730 10442 12002 10813 C12 H24 N6 O2 raw intensity 17040 18074 15915 17091 18799 18737 104190 101728 101344 1 12852 10705 20555 19437 20213 87152 90864 93026 29690 30471 26311 23123 22216 22640 56973 53998 58957 22962 23501 22622 29191 28270 27564 11981 12104 11700 26547 24618 25281 1 17546 1 45329 44684 44143 25811 1 25050 18098 15330 15121 138336 139839 140638 30435 31943 31251 1 25342 27139 411379 502995 521339 *1129.3345*@1.13 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *537.885*@1.1316334 raw intensity 1 1 1 1 1 1 1 1 1 11531 11773 1 1 1 1 1 1 1 17244 21429 1 1 1 1 1 1 1 21931 24748 20005 34561 25662 41035 12123 16714 16733 10190 1 1 15655 21081 19403 21278 1 18429 16542 17010 13148 1 20578 13142 1 1 29066 1 1 1 20363 23928 22694 1 22710 15485 *296.2025*@1.1320869 raw intensity 1 15666 19222 1 1 1 1 1 22260 1 1 1 1 10166 5766 1 1 1 31290 29926 27623 18675 23515 25786 1 24038 1 17410 11680 10944 1 1 43222 1 1 1 25483 25164 26829 1 1 11922 1 12048 1 1 1 1 1 8307 16155 1 1 1 1 1 1 1 1 1 1 1 1 2-methyl-tridecanedioic acid raw intensity 50897 49221 50321 58304 51010 50126 336641 338755 318842 31788 31534 32344 98090 95806 94075 380599 395231 395507 105435 104021 104406 77618 77545 79500 123638 121730 125056 48843 48902 51309 73277 72802 70456 31515 30492 30151 43613 43654 40887 57700 58332 57296 104899 102829 102364 60214 63144 61495 34603 34838 33445 222460 343770 353733 68584 65829 66038 56106 54167 53711 1047400 1296927 1338804 *309.9994*@1.1387 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4530 1 1 1 1 38476 1 35924 1 1 1 17484 15222 14885 1 11958 7026 1 1 1 1 1 4104 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *112.089*@1.15155 raw intensity 1 1 1 1 1 46226 1 6186 1 1 1 1 7590 1 6890 1 1 1 12624 1 1 1 1 1 1 1 9732 9646 1 32011 1 12066 1 1 1 1 9346 7527 1 77821 8593 69184 1 1 1 1 116900 1 10068 1 25309 1 1 1 1 4506 6735 73895 1 1 1 1 1 *840.2503*@1.1510321 raw intensity 1 1 1 104200 107615 106781 55123 88531 1 1 1 95446 70427 1 65931 34714 1 38456 87655 1 1 44227 42387 1 1 50247 39404 30966 1 30695 98655 96376 53848 1 1 19254 34308 69914 1 1 34815 1 1 1 1 1 1 62144 44696 1 1 1 1 1 62010 25196 22307 1 1 1 1 26371 27281 *80.9649*@1.1495 raw intensity 1 11492 1 1 1 1 1 17983 1 14034 12006 14903 1 1 1 1 1 1 1 1 1 1 1 14146 1 1 1 1 1 9025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *903.2471*@1.1444669 raw intensity 10961 10796 11122 14705 14161 16193 14092 1 13766 12519 1 1 8000 9037 9330 9084 10119 9395 11415 9336 11450 1 1 1 11217 12089 1 9258 9316 9705 12747 11902 1 1 1 1 10450 9307 10859 9443 8561 8715 9818 8729 1 8770 8197 7698 1 10013 11908 10008 9231 10004 1 8073 1 1 1 1 7376 8329 8385 *876.2294*@1.151913 raw intensity 33924 36573 1 1 1 1 1 1 50869 40298 43845 1 1 35137 1 1 31272 1 1 1 1 1 1 34294 1 1 1 1 32250 33163 1 1 1 19620 18699 1 1 1 36112 1 1 1 1 31310 29976 1 32246 1 1 1 41281 1 36630 40955 1 41349 1 23581 23250 1 24456 1 1 *476.3078*@1.1563846 raw intensity 1 1 1 12331 1 1 1 1 1 1 7739 1 1 1 1 1 1 1 1 17858 21956 1 1 1 1 1 1 1 8300 14691 1 1 1 7618 1 6207 1 1 1 1 1 1 1 1 1 16698 14113 16438 6327 6175 1 1 1 1 1 1 1 1 1 1 1 1 1 *577.2315*@1.1535001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2782 1 1 1 1 1 1 5134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *539.018*@1.163 raw intensity 1 1 1 1 11678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18776 1 1 1 1 1 1 *184.1093*@1.1527072 raw intensity 10440 1 10272 1 9851 1 1 5267 6672 35534 7879 1 10983 10230 65891 5974 7355 1 13208 1 11915 10905 1 274830 1 10692 11173 1 14348 39677 36029 12623 12781 6342 12705 1 9405 24452 9015 9928 1 1 6906 8735 8453 21106 1 8987 18677 10787 9871 1 1 4548 10677 1 1 1 9244 1 1 1 4251 *978.2471*@1.1499624 raw intensity 7899 6888 7053 12817 10413 1 9865 11662 13248 9253 1 9547 8469 1 8696 4187 4811 6032 5109 5360 5620 5782 5611 5606 6538 6014 5770 5820 5772 5469 7404 6640 7596 4758 4421 4569 1 6819 6663 7176 6881 6790 5877 6432 5245 8555 8981 8566 6913 6868 7232 5803 6017 6313 5718 5491 6157 1 1 1 1 1 1 *639.903*@1.1459501 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4307 1 1 5148 1 1 1 1 1 1 1 7248 7955 1 12456 10835 1 1 1 1 1 1 5068 1 4736 6020 5422 1 1 1 6924 3756 4345 1 10799 11256 10949 1 1 1 1 1 11440 7483 6360 7148 *282.1784*@1.1465455 raw intensity 1 1 11466 1 13824 1 1 1 1 1 1 1 1 1 1 17224 21505 22443 1 1 1 1 1 1 20723 19337 1 1 1 14318 18662 1 1 1 4035 5618 1 18823 1 10372 9143 1 16775 16281 1 19903 13994 20023 1 6349 1 1 1 1 1 1 1 16732 1 18678 1 1 1 *175.0625*@1.15714 raw intensity 1 14793 14020 14808 1 1 1 1 1 1 1 1 1 1 1 18148 16503 24203 29631 26934 28909 23950 25228 22721 22902 20909 22226 17320 19799 17385 39580 41633 42119 16374 14617 14221 23294 23925 24613 25605 23771 22709 29521 28655 28379 42842 41157 45101 1 16358 13143 14214 13504 7660 13620 12962 15321 13484 13845 13253 9983 13023 14235 *655.9398*@1.1516252 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8358 5412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 4057 4010 1 1 5746 5302 5557 1 1 1 1 1 1 1 1 1 *615.1668*@1.1685927 raw intensity 8875 10656 1 11631 1 9476 1 14020 1 10752 1 12910 6662 9237 7661 9479 1 9104 1 1 8785 1 1 11393 1 7270 1 6112 6383 7695 12951 11241 11419 1 6685 5296 1 8226 1 11404 7020 10031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *466.2737*@1.153 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *434.2974*@1.1315 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5276 1 1 *211.1183*@1.156 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *465.9988*@1.156 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *579.938*@1.152925 raw intensity 1 1 2895 1 1 1 1 1 1 4035 5370 5139 1 1 1 7166 6663 6684 11200 10500 1 1 1671 1 1 8661 7407 13221 17490 14077 11227 13775 12115 6301 5727 6177 1 1 1 8203 6449 6582 6651 6592 6074 9809 10637 9699 10519 9333 10745 17681 18146 17139 1 1 1 12553 13499 16188 1 14584 1 *388.1917*@1.1489056 raw intensity 55104 68588 69172 1 1 1 45124 22200 1 36246 35914 34923 28265 33531 39063 29486 38425 32078 203345 143318 160627 70376 65206 66822 87282 98693 91238 99558 1 181813 53985 88111 86863 35396 47872 55663 345642 357620 354651 84229 90851 89733 70122 95675 88278 1 27816 29171 108878 116158 119386 81368 86062 64360 1 1 1 449325 479409 477486 259606 1 301111 *244.1694*@1.1644642 raw intensity 18029 1 16133 1 20263 16541 1 1 1 1 1 1 1 1 1 37187 39677 40676 1 1 1 19542 21253 20625 1 1 1 1 21292 18863 1 1 1 1 1 1 23651 22314 3113 24468 1 14741 26132 27085 28725 1 1 1 17820 1 1 1 67259 1 1 1 1 14947 15641 16118 99281 119529 117211 *595.9623*@1.1407499 raw intensity 1 1 1 1 1 1 1 1 1 5490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 1 6752 7081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Niacin (Nicotinic acid) raw intensity 25456 18837 26179 36887 31600 26161 37452 28487 44855 19951 20018 21704 17726 1 23048 38216 37940 41111 1 15557 14774 23825 27450 32372 83811 90688 83681 12463 15581 20618 23873 21250 39998 16720 20716 15293 1 5309 9474 1 1 9337 19556 17288 16542 1 14570 1 1 1 8321 1 15238 6229 1 5807 6505 1 1 7181 19996 24833 20472 *566.0265*@1.0844445 raw intensity 1 1 8718 1 1 1 23143 1 1 1 8901 16773 1 1 1 1 1 1 1 21691 33966 1 1 1 1 1 1 1 1 5755 8928 9227 1 1 1 1 1 12341 14634 1 39919 1 40437 41256 40783 17073 1 20358 1 57409 1 1 1 1 1 1 1 1 1 1 1 1 1 *477.9176*@1.170381 raw intensity 1 1 1 1 1 1 1 1 1 1 1 6032 1 1 1 1 21451 1 43414 1 1 9447 1 9616 43733 33699 43842 18626 24096 23765 53670 1 1 1 1 22328 1 9451 1 1 1 1 23344 1 1 1 1 1 1 40244 40650 77268 75559 1 1 1 1 1 1 1 25666 1 25871 C14 H24 O4 raw intensity 38266 38952 37039 42744 43961 41645 673894 668257 672437 50902 1 42990 100500 100609 89862 463205 482147 488328 1 1 1 1 1 1 121494 139815 1 55849 60272 54792 1 79108 1 36276 40929 35807 75384 75854 85463 36365 37039 36664 94278 87827 86190 1 1 1 1 50247 50357 998910 970668 972719 45295 44597 46242 52845 53799 52328 2026427 2501331 1 *240.155*@1.1635001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18321 17501 1 9891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70014 1 1 1 1 1 11503 1 78924 1 *458.0126*@1.1672173 raw intensity 14667 13268 14482 1 6039 1 14003 14237 13917 32852 32133 33376 14412 14023 15057 23397 25512 27717 24640 25331 26153 37672 39946 39443 35490 37617 38867 40288 43533 43234 37654 40336 40610 6272 1 1 1 5395 1 9356 1 8429 1 1 1 12347 12975 11334 1 1 1 5327 1 5540 4867 1 1 7557 10095 6751 1 10402 11398 *1086.323*@1.180059 raw intensity 28508 1 21166 54678 45969 1 1 1 1 29529 43676 1 1 17504 37848 17522 1 36226 28833 35278 42191 1 30994 24775 26418 25999 1 13119 1 13006 33687 1 37627 1 1 1 22697 1 1 1 1 12020 1 1 19649 1 21114 15705 26297 36742 27928 27695 25272 32027 26864 1 32188 1 1 1 1 1 1 *307.0171*@1.1665001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8000 1 18387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *588.146*@1.1847289 raw intensity 24738 24996 28015 45417 46595 42038 41675 41404 42002 32357 32810 37879 1 27811 28738 27352 28397 29218 45908 46411 49613 19555 27109 25637 32751 35616 34212 1 1 12949 44673 40520 45378 19607 18654 17138 30241 29358 29962 26049 25785 24190 18510 16706 16411 24197 26811 27798 41471 42240 42053 35820 34024 34226 18852 18102 19255 13699 1 17845 14163 18667 16628 *547.9863*@1.1471539 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25346 16816 17784 1 1 1 1 9883 1 1 8136 11267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15015 16539 1 11681 21836 1 1 1 1 1 1 21917 16010 16138 *574.1796*@1.1765946 raw intensity 1 1 1 1 1 1 1 8788 1 18944 18700 17327 8350 6784 8027 7849 9225 10690 4246 1 1 7990 8599 9355 6967 6375 9510 4831 5835 4977 10319 9745 1 1 1 1 10113 1 8822 9340 10874 10019 6798 6945 1 8231 6951 8817 1 5660 1 1 1 1 1 3792 1 3562 3694 1 1 1 7510 *358.0183*@1.1710557 raw intensity 48114 48702 45593 26427 25480 26447 29241 29557 27293 30380 30073 31615 42174 34792 36001 33421 33761 38332 1 1 1 56004 58487 56193 37952 33855 33141 17406 20085 17840 19138 17887 17790 18499 18214 18609 11343 1 1 25117 25079 23468 16005 16381 13784 14594 14577 16563 1 17140 18392 16260 14107 1 11165 10332 11166 19382 16794 18958 1 1 12929 *347.1834*@1.1775599 raw intensity 25825 21302 28296 11322 1 12924 1 1 1 1 1 1 1 14382 25022 1 1 1 1 86890 1 38951 38122 26377 40203 1 34279 1 1 13239 1 42250 36777 27675 1 33513 1 95678 99328 49891 61126 60760 34424 1 1 1 1 1 1 1 1 1 9034 1 1 1 1 1 1 1 1 1 1 *168.0224*@1.1665001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80231 1 1 1 1 1 1 1 1 1 *534.008*@1.1641667 raw intensity 1 1 1 1 1 1 1 1 1 7625 1 10370 1 1 1 1 4900 1 1 1 1 1 1 1 1 1 1 6628 7668 6689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *182.089*@1.1706667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31986 25658 1 1 1 1 24647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *230.1506*@1.1710942 raw intensity 35015 32391 35903 1 21959 20756 497037 499786 479504 54523 55931 27253 341722 342180 342430 1382679 543289 1425947 95287 85754 86306 53952 40483 50677 106312 107872 105466 50364 53644 43827 1 1 70483 35926 36669 39890 50484 49222 44685 39077 37374 32424 80197 76650 78118 31236 1 31718 45121 44295 44165 1 684060 1 1 1 1 55229 51524 64728 2085467 1 2620121 *254.1502*@1.1788667 raw intensity 48981 46849 46969 46526 36281 46230 505046 502798 505627 66648 61572 63203 83519 83681 84802 361636 376708 381149 87094 87519 99008 55786 56608 58840 148181 143967 137865 51085 50240 54551 91975 94640 98939 49271 48540 47832 62871 59443 56679 39984 42713 42007 94886 84013 88219 60913 58686 58618 69746 72362 70304 1 1043770 1 44669 44226 38171 65718 64474 66104 1688133 2081235 1 *166.0622*@1.1725001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 92138 90089 91709 73497 74541 76256 1 1 1 92478 100785 96112 65947 69338 74969 30226 29483 28566 1 1 1 1 1 1 9873 1 1 66703 67252 61459 83192 74323 75955 1 1 1 34792 32799 30461 1 1 21264 1 1 1 1 1 1 1 1 1 *210.1546*@1.1674545 raw intensity 1 1 1 17574 25963 9984 1 1 4773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8076 6719 7842 1 36598 1 1 1 5785 31450 18389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1134.9861*@1.1386 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172856 201357 179947 1 1 1 1 1 1 1 1 1 1 1 562648 1 1 1 1 1 1 1 1 1 1 1 1 1 818730 1 1 1 1 1 1 1 *519.9727*@1.161625 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13264 6852 9053 1 1 1 1 1 1 1 1 1 7277 1 1 1 1 1 1 1 1 1 5873 1 1 7322 21845 1 1 1 1 1 5313 1 1 1 *179.0918*@1.1565334 raw intensity 7028 1 1 12793 8286 46414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24737 1 27163 7767 26962 6812 9642 1 1 1 1 1 6880 10826 1 10560 1 1 1 1 1 1 1 1 98644 1 1 1 8881 1 1 1 1 1 1 1 1 1 1 *372.2028*@1.1713 raw intensity 1 1 1 1 1 1 1 1 20095 1 1 1 1 1 1 29124 1 24199 120434 1 1 1 1 1 1 1 1 49661 49185 53390 1 1 1 1 34635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89958 111758 1 1 1 1 1 1 1 1 1 1 *244.0238*@1.176158 raw intensity 32207 20184 28390 1 13207 27541 27236 23298 19343 29981 29511 1 28646 30032 27071 30812 31278 33878 1 1 1 59927 63139 64724 1 54147 1 1 29356 12097 39759 45930 44078 1 14776 1 1 1 8457 18478 20385 18199 1 1 8193 13931 14140 13842 1 1 1 1 1 1 1 4218 6598 16285 1 8852 1 1 1 *834.2161*@1.2041428 raw intensity 20650 1 1 9991 1 1 1 1 1 30946 1 1 1 1 1 6654 1 1 1 1 1 1 1 1 1 1 1 7105 1 6656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20973 1 1 1 1 1 1 *414.2111*@1.1585 raw intensity 1 1 1 1 1 1 1 1 1 24391 1 1 1 1 1 1 1 1 23743 1 22731 1 1 1 1 1 1 1 1 55104 1 1 22747 6217 1 5982 1 1 1 1 1 1 1 1 1 14163 11341 1 1 1 1 1 1 1 1 1 1 1 1 1 19539 25333 23646 *216.1377*@1.1872857 raw intensity 1 1 1 1 1 19845 1 1 1 1 1 1 1 1 1 54563 51753 1 1 1 1 1 1 1 1 1 1 10341 8070 20822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77837 1 1 1 1 1 1 1 1 1 1 *498.2001*@1.1751112 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10067 11018 9845 1 1 1 17851 1 17804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9775 1 1 1 1 1 1 1 1 11961 9945 8759 *280.0005*@1.1747 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10778 11493 1 1 1 1 1 28566 13941 1 15514 1 1 1 10532 7287 1 7963 1 6014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7895 1 1 1 1 1 1 1 1 1 *160.0145*@1.1775 raw intensity 1 1 1 11716 12324 1 1 1 1 7273 9299 1 1 1 5227 1 10851 11826 1 1 1 9654 1 1 14531 13977 14397 17852 15673 16557 15903 16277 18610 4166 5627 1 1 5212 1 4664 1 1 1 1 1 1 1 1 15201 16519 14088 9802 1 1 1 1 4016 1 1 1 1 1 1 *364.1534*@1.2798333 raw intensity 5546 1 1 8877 1 9251 1 1 6363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6705 1 1 1 1 1 1 1 1 *440.1223*@1.1418334 raw intensity 1 1 1 1 1 1 1 1 1 1 3925 1 1 1 4717 12950 1 1 1 1 4791 1 1 1 1 1 1 1 1 7588 1 1 1 1 1 1 11385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *406.1992*@1.1847609 raw intensity 27118 23587 27081 28295 33341 29302 1 1 38849 1 35378 1 24348 1 1 30061 1 4433 1 1 1 44413 41882 1 31779 32720 31676 21867 19867 22230 32869 35750 36707 13962 1 16437 45595 43884 38098 1 47260 46974 39094 51090 47549 19547 19845 19349 1 23378 15506 1 1 15370 23561 20454 26705 16826 19673 1 135311 33775 28773 *444.9635*@1.2030001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13470 1 1 1 10423 1 1 1 1 3185 5077 1 1 1 1 4562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *396.1717*@1.1880001 raw intensity 1 1 1 1 53034 52018 44529 1 46737 36059 1 1 1 1 44495 39524 32711 39370 1 1 1 1 63107 1 107128 110407 111632 40509 43749 41832 81450 83327 82981 44792 44877 50315 87283 87097 80062 49244 50694 49789 52400 48075 47602 28651 27540 31397 1 198992 205638 1 1 1 32866 34707 31122 1 1 1 40448 42361 1 *598.1749*@1.1819998 raw intensity 34334 31776 34757 43531 47155 43281 1 1 40261 43743 46326 1 1 33611 35844 32605 30716 32732 48654 49949 49031 1 1 1 33800 33504 32954 36513 32659 36070 49244 47882 43713 15605 17126 17335 34576 31646 33708 30221 30165 31142 23783 25662 21074 33632 30470 33516 36326 32360 34946 21651 27537 25685 23675 23842 22542 27204 25135 23304 14066 20300 17623 *376.181*@1.1683135 raw intensity 123143 123201 20106 1 19832 261042 15619 1 1 1 1 1 129475 1 1 11348 8042 12116 56007 57766 51781 35602 30989 43053 46615 45120 41375 66981 60985 64317 29427 31661 41972 12358 1 14590 1 1 25610 19746 16301 18681 29316 23663 26792 28409 33797 28716 40627 1 30564 47345 43137 45390 436683 354646 433257 17380 16778 16893 39805 42270 44590 *341.9479*@1.2 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24607 1 1 1 1 1 *242.1536*@1.17655 raw intensity 48228 50020 1 17027 16848 16652 246643 1 238806 36885 35991 35321 1 1 1 1 1 1 7275 128347 97476 51894 47507 1 153774 149711 1 49104 50013 50569 1 1 1 1 1 82352 102011 98981 115549 28736 1 27457 70697 69955 64398 54099 1 58069 1 75045 76456 503540 443676 505538 1 1 1 52222 45260 43401 345699 1 1 C16 H36 N2 O S2 raw intensity 152319 168405 156873 122958 116709 114788 1 1 1 1 1 1 179327 176147 177629 1 78284 1 183879 180850 304451 232286 214718 224777 412262 432246 414224 157583 159916 171291 312354 296730 306530 101916 1 97604 182199 180692 189531 55229 74782 53727 170642 172297 167569 12634 12222 11834 185818 103941 188093 125018 122141 216267 29977 29710 28925 15034 15109 27432 1 1 1 *768.1383*@1.183 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *700.3952*@1.187 raw intensity 14756 1 1 1 1 1 1 1 15908 1 1 1 1 1 18446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8522 5550 3761 *228.1351*@1.2089608 raw intensity 36408 34557 35101 30680 1 28441 1325198 1321085 1293158 102666 96645 98012 234751 239309 223139 1 1308047 1 102147 107173 115223 87849 88158 87241 1 103043 149891 32696 1 26188 42642 129496 116563 70101 85574 84101 56073 55825 51659 1 1 29561 109188 102157 109638 1 51591 46401 89686 88179 86333 1 1 1 43414 44187 46338 83175 77897 73825 3569483 4624590 1 *137.9985*@1.1726251 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289700 288611 241389 1 1 1 1 81916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124753 197349 198938 195483 1 1 1 1 1 1 1 1 1 *694.3921*@1.1363333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10698 10120 1 1 1 1 1 1 *689.3647*@1.185 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *461.1371*@1.185 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *272.0896*@1.1820499 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3561 1 1 12129 7042 8735 7306 9879 1 9771 11058 11035 7907 16401 15575 17748 1 1 1 1 1 1 1 1 1 1999 1 1 9495 11499 11755 25532 22378 21174 1 1 1 1 1 1 1 1 1 1 1 1 *111.9857*@1.2015715 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67942 1 67448 1 1 1 1 1 1 76237 82441 25965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47600 46868 *674.3626*@1.187 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *748.3854*@1.1877143 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12975 16158 1 1 1 1 1 1 10324 1 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13615 5459 10044 *188.0142*@1.188 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *360.226*@1.1710969 raw intensity 41913 1 36383 1 1 1 1 1 1 1 1 1 30168 27074 29348 1 1 12713 69937 61209 67466 35722 35496 38395 65775 69198 66216 40923 33845 36306 32361 40160 38220 1 1 1 33550 32848 30445 1 1 1 23899 23360 24657 1 1 1 27438 1 23612 1 23594 25066 1 1 1 1 1 1 1 1 1 *151.063*@1.1998147 raw intensity 1 1 1 247350 236589 241208 1 1 1 1 1 1 1 1 1 1 1 1 1402682 1394675 1413159 1 1 1 443227 433383 433940 291707 277674 278346 424712 432714 407269 233579 231051 228788 204553 202019 186969 1 1 1 1 1 1 1 1 1 1053057 1033862 1030706 1488860 1448696 1458722 1 1 1 1 1 1 1 1 1 C7 H16 N6 raw intensity 1 1 1 54615 19923 20171 103191 104956 100831 15992 16828 46508 1 1 1 101098 101755 106972 35545 37678 38076 57594 57893 53853 158464 158504 161154 29177 27639 26747 109350 103320 42269 27840 29419 29450 27144 25805 24810 1 1 1 25878 23752 24926 25739 24921 24926 22559 22846 22980 89666 90015 84319 1 1 1 22041 19522 19905 92863 119300 374918 *1135.9895*@1.189 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *569.212*@1.1905 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19300 1 15978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *108.0463*@1.1993499 raw intensity 1 1 1 7471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40188 43663 1 1 1 14545 15037 14616 9689 11424 11054 10708 1 1 8386 14307 9169 1 1 4988 1 1 1 1 1 1 1 1 1 38649 41583 40029 65860 50044 63116 1 1 1 1 1 1 1 1 1 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1 1 *320.2322*@1.1231668 raw intensity 1 1 1 1 1 1 27475 28614 28301 1 1 1 1 1 1 20759 27205 22372 1 1 1 1 1 1 1 1 1 1 1 23377 1 1 1 34665 39891 31791 1 1 1 29356 30840 30821 1 1 1 15389 19529 1 1 1 1 1 48236 1 24823 1 1 1 1 1 1 8814 1 *728.3645*@1.192 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *480.3355*@1.1548126 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50305 1 1 1 1 1 1 1 1 1 29036 60250 1 1 1 1 1 1 1 1 1 1 1 1 1 35571 21345 29823 1 1 24123 1 1 15981 1 1 56359 29898 1 59628 57156 59162 45228 54536 53047 *514.2406*@1.18725 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17453 13464 22038 1 1 1 1 1 1 1 19468 36199 10579 1 1 1 1 1 1 1 1 3618 5043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *236.1013*@1.2702222 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 21422 18955 21149 1 1 1 9924 12218 9026 11135 1 12457 1 1 15644 9407 1 13547 1 27227 1 1 1 1 1 1 1 1 1 1 5680 1 9504 8572 1 1 72190 80410 83156 1 1 1 1 1 1 1 1 1 1 1 1 *444.1676*@1.2155999 raw intensity 1 1 1 1 1 1 6242 1 1 1 1 1 1 1 1 1 5346 1 1 1 1 1 1 1 1 1 1 318407 315246 310338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *745.3532*@1.194 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13490 13252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *540.2463*@1.1925 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7452 1 5661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *686.3662*@1.193 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *564.1953*@1.1273333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3671 3285 1 1 1 1 1 1 1 1 73726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *522.3442*@1.194 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *458.1901*@1.192 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *646.2705*@1.195 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *508.3667*@1.1365862 raw intensity 7195 7184 1 1 5571 9246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4863 6938 11436 1 11864 12367 11411 1 13516 20414 14642 9434 13947 1 1 1 1 9208 1 8564 1 1 11130 12357 14462 1 14764 14177 1 1 2933 1 1 1 1 1 1 8624 27115 26808 26255 34679 12650 *1392.7954*@1.195 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *637.2996*@1.1960001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5793 5088 13997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1133.355*@1.1965001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22066 1 21452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *888.3106*@1.1955 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3225 1 3236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *519.9658*@1.1758333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12793 22294 1 1 1 1 1 1 1 1 1 1 4513 3648 9064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *401.2511*@1.196 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13725 14843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *640.2919*@1.1976666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37367 38388 37730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *208.0449*@1.197 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20895 17517 17448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *459.1683*@1.197 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *385.6355*@1.1973333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9385 9868 9693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *432.315*@1.1583334 raw intensity 1 1 1 1 1 1 1 1 1 1 3383 9927 1 1 1 10339 5052 1 1 1 1 1 1 1 1 1 1 1 8449 12477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *441.9421*@1.1705261 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29114 1 35910 1 45388 1 1 1 1 1 1 1 13493 12710 12574 1 59691 55358 31409 30214 1 22824 1 1 35732 30900 1 1 19116 27907 1 13811 1 1 1 1 1 1 1 1 1 1 27429 17367 33038 1 1 1 *669.2968*@1.2126666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14524 14437 16215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *653.2981*@1.1986667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153487 153663 156626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *497.2493*@1.199 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *512.2081*@1.199 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *730.3843*@1.20725 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24176 18958 14702 1 1 1 1 1 1 1 1 9059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *392.2185*@1.2132499 raw intensity 1 8395 17037 11100 1 1 1 1 1 1 1 1 1 1 1 1 10215 12299 1 1 1 1 1 1 1 1 1 1 1 19901 1 1 1 7809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19884 1 1 1 1 1 1 1 1 1 *627.3156*@1.1996666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20603 33423 37408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *785.2534*@1.173 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100856 97745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *870.1965*@1.201 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5753 6004 5584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *794.2221*@1.2013333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7261 5471 6330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *478.1705*@1.202 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1067.3188*@1.2036667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9277 7481 7002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *801.2478*@1.203 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *929.2931*@1.203 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *677.324*@1.203 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *954.2422*@1.1654445 raw intensity 1 1 13179 1 1 1 1 1 1 1 12158 1 11132 1 10388 1 1 1 1 1 1 1 1 1 1 1 1 9812 9665 9458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11878 1 1 1 1 1 1 1 1 1 1 1 1 7940 1 1 *367.1995*@1.203 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *717.0337*@1.2069999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9779 10197 9387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *592.2473*@1.204 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *630.331*@1.2105556 raw intensity 1 1 1 1 4252 1 4224 1 4682 1 1 1 1 1 1 1 1 3080 1 4846 1 1 1 1 1 1 1 1 13934 16608 1 1 1 1 1 1 1 1 1 5608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6490 1 1 1 1 *701.3558*@1.2035 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25964 1 25338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *430.1662*@1.2065384 raw intensity 17495 16365 19637 1 1 10508 1 1 1 1 1 1 20333 20150 22512 26924 28260 22973 1 1 1 1 1 1 1 1 1 522080 521194 552779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *392.6383*@1.205 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *464.156*@1.1730001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4253 1 1 1 1 1 1 1 1 4453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *887.282*@1.2035 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9387 8436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *468.1432*@1.1648889 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10283 11338 11279 1 1 1 1 1 1 1 10935 8474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44329 51165 37605 1 1 26141 *534.2324*@1.205 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *329.0806*@1.2063333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222593 234099 241932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *578.2311*@1.2043333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15213 21466 19043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *751.3317*@1.206 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *735.0407*@1.207 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42188 42932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 4034 1 1 1 1 1 10046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *608.1928*@1.2093334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120981 137733 139219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *679.3476*@1.2095001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28624 32389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *476.3107*@1.1491998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22340 1 1 1 1 1 1 1 1 18250 16858 19038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37693 1 25236 20393 25043 1 18622 2808 *794.516*@1.207 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4901 1 7588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *473.5808*@1.209 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *605.263*@1.228 raw 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1 1 1 1 12906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5645 1 1 1 1 1 1 1 21254 1 1 1 1 1 1 1 1 1 1 *949.7674*@1.21 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *494.3201*@1.222 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7585 1 1 1 1 1 1 1 3093 1 4378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 1 1 3695 3877 1 1 1 1 1 3510 *185.0165*@1.21 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *492.1938*@1.2170852 raw intensity 16669 1 13207 37889 39330 36728 25240 22201 24837 20816 21878 18573 15400 16741 13928 26645 22202 28726 61472 57682 62897 30062 31449 29897 45695 39174 44064 408100 403478 397030 1 49814 55303 1 1 22292 28530 30231 34105 1 1 1 1 1 1 1 1 1 42398 42974 44524 103434 1 99993 1 16467 1 27410 26066 28419 113474 118392 102827 *268.1304*@1.2117963 raw intensity 391831 388981 382084 604189 602966 625203 371857 353082 354493 161333 162930 151450 165956 167795 163270 147122 149876 148001 652057 640935 621345 281040 280247 288963 683388 690041 680111 1041733 1029447 1067662 1 459829 444731 141263 139587 136187 436997 449481 427164 324625 329241 329195 298201 316599 313828 292469 300735 272697 1 1 299006 1 338883 335308 667593 662385 659707 644880 633676 619627 498685 603689 620766 *778.9777*@1.2123333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6750 7233 5798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *797.9952*@1.2136666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9980 11074 11108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *946.7918*@1.2116667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152672 152148 162576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *646.3131*@1.211 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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26492 24142 51288 49805 50187 1 1 1 1 1 19609 67928 1 1 *473.1217*@1.212 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7614388 7595310 7525226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *499.9291*@1.2103333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19692 19161 22955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *213.0092*@1.212 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *575.9412*@1.2145 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4541 5063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *930.9741*@1.213 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15215 15855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *732.4008*@1.212 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15442 1 1 1 1 1 1 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145601 153264 145675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1031.3229*@1.2135 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33983 38040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *643.3117*@1.2145 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21658 20909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *559.9002*@1.2143334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9061 8241 4572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *590.5584*@1.213 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *714.3334*@1.213 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *871.0133*@1.2153333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16169 15768 15249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *394.0121*@1.2143333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167492 171875 175712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *561.8791*@1.214 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *655.3151*@1.2145 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805092 1 804535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *599.0777*@1.2143333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70947 72356 72210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *656.7109*@1.214 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *480.0377*@1.2156667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4031 1 5087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *632.2011*@1.2245 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27098 31855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *735.3985*@1.2346667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31684 23105 28292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *216.166*@1.1940715 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 38644 37976 35371 1 5332 6581 1 1 1 1 1 1 1 1 1 6622 1 9708 22193 5709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35530 34911 32568 1 1 1 3720 19464 1 *713.3611*@1.2409999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14674 20097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *434.2364*@1.177 raw intensity 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *380.2337*@1.227 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *486.2404*@1.2312 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3903 1 1 137468 128746 6323 5859 1 148828 142882 151008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18020 1 23543 *771.1956*@1.227 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *743.2438*@1.2295 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21606 1 17356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *475.495*@1.227 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *453.945*@1.226 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70716 66788 73789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *298.156*@1.2295625 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43831 1 1 22712 1 1 1 1 68939 1 147357 150005 47983 49273 54774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26701 1 18247 59249 56437 56537 37532 1 28267 1 1 1 1 1 58855 *1009.0071*@1.2313334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8677 8607 8786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *711.392*@1.2316667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17376 15854 15483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1000.9292*@1.2306666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12718 11472 11486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *295.4068*@1.232 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *312.1747*@1.2416363 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144373 1 97473 114167 1 1 95896 107706 481565 417767 491482 112575 108845 171608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *352.2218*@1.2489556 raw intensity 126206 113797 110848 50191 41820 35512 29267 28711 1 1 1 1 115946 108531 117569 36068 40331 12633 1 134995 132636 19473 92734 43633 218299 181477 176235 113920 109712 110808 108352 114336 90791 39761 4134 20273 57357 49931 54114 24721 15525 34548 43008 68996 66709 1 1 1 53005 1 57991 82084 98720 49612 1 1 1 1 1 1 1 1 1 *326.1906*@1.244 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61174 52198 50779 1 1 1 521480 464224 502936 105342 113933 102297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *325.1387*@1.237 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *584.2072*@1.2386667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21192 19026 22178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H18 O4 raw intensity 1 1 27723 8622 1 1 234535 235185 233306 26432 1 1 69598 71035 66239 373693 384832 390656 13507 1 1 1 1 1 1 1 1 1 1 17321 1 1 1 1 1 1 4649 1 1 1 1 1 1 4472 1 14615 1 1 5477 1 1 351484 346627 347251 1 1 1 30008 1 1 474989 595886 603977 *341.9484*@1.2091249 raw intensity 1 1 1 1 32670 30639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87796 1 1 1 26558 26169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115240 114629 1 1 1 1 1 1 1 1 1 1 1 88844 1 *124.0867*@1.2519 raw intensity 3443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17309 1 1 7406 1 1 1 1 1 1 1 14708 15018 6992 1 41637 1 1 1 1 3529 1 1 1 1 1 1 2352 1 1 1 1 1 1 8084 1 1 1 1 1 1 1 1 1 1 1 *350.2061*@1.244355 raw intensity 41995 26092 27229 33363 28328 30673 1 1 1 1 1 1 37504 42698 37289 8207 1 1 1 1 1 1 1 1 52935 1 64199 56747 51342 65964 63186 60731 111726 8940 1 1 20628 20634 18524 1 37398 26007 19846 30769 27645 1 1 1 1 1 1 16108 19595 58612 1 1 1 1 1 1 1 16315 1 *306.2212*@1.243909 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429519 445077 431890 1 1 1 125479 1 124852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45832 47262 49358 1 1 1 1 1 1 51706 51443 49132 1 1 1 1 1 1 *267.1409*@1.2105 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7100 11784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *359.174*@1.241 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *293.5377*@1.241 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *682.3447*@1.241 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 *337.1929*@1.242 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *417.9502*@1.2191333 raw intensity 1 1 34033 27545 1 1 1 22820 24135 1 1 30444 19209 1 1 1 1 1 1 110745 116868 1 1 35270 1 1 1 1 1 16533 1 1 1 1 45312 42839 32578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24777 1 25815 1 1 1 *671.3089*@1.2423334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205537 201041 207427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *659.3384*@1.2426667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74878 74080 72206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *669.2956*@1.2175 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9188 11814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *727.4011*@1.2365 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12177 1 12663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H46 N4 S2 raw intensity 1 1 1 16312 15233 16565 1 1 1 3442 2394 1 8921 1 7780 1 1 1 18928 18860 15801 1 1 1 1 20044 20030 38580 40447 40977 12977 1 1 1 1 1 1 1 1 5920 1 1 1 1 1 1 10398 10383 11968 12857 12247 1 1 1 17146 16386 13463 1 1 1 1 1 1 *519.2428*@1.243 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *768.2915*@1.243 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *312.3231*@1.2453333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3634 4629 5056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *489.1179*@1.2436666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389739 386795 395411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *861.2707*@1.2436666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19643 17756 20734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *537.2218*@1.243 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *533.226*@1.243 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *458.212*@1.2489445 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 141494 149281 144936 1 1 5747 118274 124726 125601 5706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16105 12019 16467 1 3482 1 11128 4332 5885 1 1 1 1 1 1 6701 8449 1 *283.9999*@1.2444999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10378 10586 10631 1 1 1 1 1 1 1 1 1 1 1 1 *292.206*@1.2455554 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033100 957096 899570 1 1 1 1 182258 177167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81487 84500 82551 1 1 1 1 1 1 109545 1 1 1 1 1 1 1 1 *188.0153*@1.194 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111884 1 103532 1 1 1 1 1 81770 160879 1 90817 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *819.2594*@1.2620001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21840 24724 22097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *467.1969*@1.261 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *200.1046*@1.2591944 raw intensity 19816 20884 38075 1 11474 1 243498 261493 251423 48773 47984 46419 35656 36477 36956 215755 221202 234579 1 42196 1 39624 39684 36588 109605 112509 110013 1 47861 46080 1 1 1 1 36830 1 1 1 1 1 1 1 1 59945 1 46468 53454 45955 1 31331 1 1 1 1 1 1 1 26865 20725 1 656585 814434 849223 *513.9315*@1.2639347 raw intensity 3165 1 1 6955 6926 7003 7792 3473 1 1 1 1 1 1 3157 3204 4413 9288 23013 21151 24167 49139 52762 52791 52572 52187 57969 45652 47256 45844 57766 60567 59894 1 3475 1 7844 7243 6593 2994 1 1 4770 4202 4667 2802 1 1 1 8398 7646 14658 13387 13543 3879 1 4226 4421 1 4786 10153 20152 20204 *256.1375*@1.3056668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4495 1 1 1 32955 17846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *717.3405*@1.26 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19625 17511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *741.4194*@1.263 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28269 25633 26997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *446.1686*@1.2653333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71007 77373 83975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *541.0564*@1.2534405 raw intensity 17645 18563 18669 1 1 1 32569 33972 34280 77003 77291 79806 24470 26700 26560 68593 84512 93445 169503 176764 186010 55848 58871 57600 76905 79111 81897 61968 64316 66176 120352 119575 123080 14862 12372 1 44608 44973 44687 25108 23795 25180 17294 15916 19081 66488 66288 64883 25168 25651 26727 24798 25917 25376 31511 32773 33204 36120 38772 36769 35063 70279 87553 *502.2774*@1.264 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *690.3893*@1.1885 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8468 1 1 1 1 1 1 1 *149.0484*@1.2636667 raw intensity 1 3233 4830 1 1 1 4774 3646 3188 1 1 1 1 1 1 3686 1 3996 26019 27742 32169 7273 1 1 7980 8464 7969 12195 11642 12763 1 8907 1 3947 1 3682 1 1 1 4946 4597 4902 5839 1 1 1 21532 5610 6671 5931 6265 1 1 1 4908 4751 5245 1 3847 1 1 1 1 *88.0257*@1.265 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *583.5222*@1.266 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *481.228*@1.266 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *754.4268*@1.266 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *344.2398*@1.2655001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10338 1 1 1 1 *404.1963*@1.2045002 raw intensity 15039 14480 1 18866 19874 1 19106 18790 19999 1 1 1 17639 11329 19941 1 9345 1 34537 39986 29684 26827 17356 13542 27432 1 28401 1 1 17240 1 33076 1 1 1 19584 1 1 1 9031 1 1 1 1 1 1 8416 1 1 12982 32623 30283 1 1 67939 61686 66441 1 1 1 1 1 1 *243.1594*@1.2225 raw intensity 1 1 22714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *331.2399*@1.267 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *272.1332*@1.2716249 raw intensity 1 1 1 13587 12571 11729 1 1 1 1 1 1 1 4251 1 1 1 1 1 1 1 1 1 1 1 1 1 11853 15756 14985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5853 1 1 1 *291.2639*@1.267 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1065.3337*@1.2686667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9947 10027 11472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *289.9211*@1.269841 raw intensity 77417 75319 74136 77769 77430 76267 1 1 1 1 1 1 1 1 1 1 1 1 93059 92640 94064 200058 206600 202899 155057 156576 168427 186147 189862 174272 159983 165063 169111 1 1 1 85828 84866 84070 73042 75027 72836 78644 76504 79567 1 1 1 73291 72919 72414 99335 92403 93639 120736 122445 120442 74602 74081 74275 1 73135 77282 *333.9106*@1.2685713 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299559 302447 306700 214682 209796 184912 166406 166710 170666 177851 217820 234221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114233 113948 1 1 1 1 1 1 1 *641.1747*@1.2686667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59806 61043 64602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *522.843*@1.269 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *154.8752*@1.2034065 raw intensity 1 3124 4001 13832 11327 8152 1 1 1 2753 1 1 1 1 1 13985 1 8251 15249 8847 22136 8331 5851 1 1 1 16254 9532 9537 8196 3146 17762 18700 10264 6412 10000 1 12253 6608 1 1 1 1 1 1 1 1 1 14151 15107 13461 1 1 1 9925 9247 9718 1 1 1 12575 1 1 *636.2671*@1.2705 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13148 12854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *671.8194*@1.269909 raw intensity 1 1 1 3669 3483 4166 1 1 1 1 1 1 1 1 1 1 1 1 1 7086 1 1 1 1 1 1 1 9226 6894 6570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3890 1 1 1 1 3619 1 1 1 1 5663 1 4502 1 1 1 1 1 1 *190.0531*@1.27 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *397.1248*@1.2716666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25792 23472 23869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H28 N10 O4 raw intensity 74026 80932 78429 1 9746 1 42159 42796 44545 1 1 1 102100 1 105727 100197 103178 105707 38261 42124 41268 71688 70481 1 77051 72633 74599 306075 301475 302342 170386 173874 172440 43432 42249 41795 58585 63966 58355 64420 63506 1 56623 55092 56899 14826 1 11586 107533 108596 105088 79531 73531 79036 4754 1 3653 374806 375245 364986 153044 307943 330217 *332.0684*@1.2764643 raw intensity 1 1 1 1 1 46189 1 1 14944 1 25058 28581 8406 1 18266 1 26742 22898 1 1 1 10224 25343 1 1 1 55113 31432 29824 34648 1 1 84597 1 1 1 1 1 1 1 41575 38840 1 51300 47006 1 1 1 66327 67395 68935 63182 72022 69089 46364 1 46953 1 1 1 1 47648 1 *610.2588*@1.272 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11363 12211 13285 1 1 1 21876 22704 18787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6525 8421 8670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *992.4782*@1.273 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C7 H5 Cl O3 raw intensity 225463 219844 221158 258535 247911 260374 164162 158470 148971 1 121261 110004 1 232932 1 164349 166843 188852 1 1 1 379453 418839 397063 439867 417576 438275 1 1 354692 290750 308463 330686 100578 90841 89824 156823 156016 157563 223177 221426 218961 174649 179046 173892 158822 154502 169023 121554 103027 130917 174481 165686 178092 204079 192018 193542 191315 181040 190845 167696 232668 248004 *642.4065*@1.2765 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21702 1 13318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *398.1774*@1.3742857 raw intensity 1 1 1 6376 1 1 1 1 1 1 1 1 6938 1 6825 1 1 1 1 1 1 1 1 1 1 1 1 1 16172 8272 12033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *355.1046*@1.2753334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140940 132349 128513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *460.1738*@1.2750001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11181 13309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *667.9808*@1.275 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *644.2442*@1.276353 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3450 1 1 1 1 1 1 27386 28599 27629 5352 1 1 1 1 1 1 4964 5541 2602 1 1 1 1 3637 1 1 1 1 1 5204 4460 1 4183 1 1 1 5733 1 6844 6136 6396 4533 *723.3703*@1.275 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26651 28469 26993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *563.0876*@1.2756667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5914 6571 8167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *638.3009*@1.2765 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11309 12743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *391.2499*@1.2225001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12766 1 1 1 1 3913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *360.1952*@1.2722222 raw intensity 23135 1 23689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22221 1 1 53565 53286 50142 53577 50916 52994 1 1 1 1 22963 1 15955 17383 14030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31449 32213 29793 1 19910 20111 *701.3928*@1.2776667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366909 377807 368882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *447.9043*@1.2726666 raw intensity 56246 51524 1 8775 53151 53408 29540 28144 29538 20080 14098 12998 43300 44241 43796 1 21481 23178 26971 26913 27556 113784 113175 116971 65048 63398 64149 1 12896 12796 40415 36273 36381 28362 27647 25606 52007 52709 51731 50816 49667 50254 53798 51958 51032 36413 35637 37167 30956 30204 30467 27408 26481 26332 87740 89081 87908 49201 49061 45883 22476 19486 22043 *630.2445*@1.278 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *659.288*@1.2796667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11395 10254 9429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *448.2793*@1.2835 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26231 26118 23813 14320 16846 17646 1 1 1 1 1 9318 1 1 1 1 9751 12125 1 1 1 16516 16608 16784 1 15106 12757 1 1 1 1 1 1 12158 1 16060 *584.2593*@1.2667273 raw intensity 1 4880 1 9397 1 10365 9262 9802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10188 9776 9363 1 1 1 1 1 1 1 1 1 9696 6401 5998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *409.0249*@1.28 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15514 1 17409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *730.3628*@1.281 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *392.2886*@1.2704667 raw intensity 1 1 1 1 1 1 32341 31570 30575 1 1 1 32249 119623 1 77935 330773 77476 132223 126832 129910 1 1 1 160915 156863 170763 92438 188206 91354 142901 137289 144002 41188 41346 39558 1 1 1 318698 1 1 1 59457 1 401081 397647 1 1 1 1 1 1 1 1 1 1 74726 76084 181573 1 1 1 *345.0754*@1.283 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260635 277841 273098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *139.0626*@1.2829806 raw intensity 1 12676 13346 10018 9707 10153 13080 13633 13766 8081 10577 1 1 9972 9554 11544 13838 12120 79778 72759 78986 20989 1 1 19931 1 1 19307 23398 23975 20290 23549 24793 11754 9673 14526 20724 19231 20416 15813 14007 13994 17445 18414 17644 16436 14828 15938 21534 20961 1 18801 19603 19221 1 1 1 13132 13826 11698 14875 1 18029 *438.2958*@1.2786428 raw intensity 30897 31515 30813 1 1 1 24078 22882 1 1 1 1 69368 1 67103 162235 1 166090 84829 82574 85762 45555 39685 1 154168 116675 156380 99353 1 99040 88980 88853 83878 26591 24355 28123 46673 45216 48635 1 1 1 144703 141335 138092 1 1 1 53826 53624 55538 44319 45752 47711 13935 24992 19749 44934 50973 1 1 1 1 *598.2407*@1.2850001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6867 1 9002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *389.257*@1.2886001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49135 52060 48027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18385 1 18004 1 1 1 1 1 1 *160.1071*@1.2844899 raw intensity 1 27043 1 1 1 1 79159 80113 82356 34350 37748 35842 78608 79873 79071 76484 79399 81066 77455 86853 60725 25827 1 58822 98896 91444 93982 42971 46322 47245 73906 74689 1 44061 1 21713 39705 43757 37863 28636 49855 26793 1 1 1 60681 56438 55634 67426 58635 63431 1 1 1 47707 56644 59437 31208 48302 49294 92367 115988 120012 *757.4093*@1.29 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *340.2114*@1.24175 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27997 1 1 1 86604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22385 1 1 1 1 1 1 1 1 1 1 79994 *582.231*@1.2907143 raw intensity 1 1 4521 4432 3624 4367 5957 1 4608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16583 16034 14894 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4846 1 1 4434 4427 4382 1 1 1 1 1 1 *428.2641*@1.278238 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82535 1 90200 106621 125281 112639 1 1 1 160581 148973 147241 65395 69158 69968 114529 118771 116337 33958 34193 29920 1 1 1 1 1 1 46002 1 31715 1 1 1 1 1 1 1 1 1 1 1 1 48140 43252 1 1 1 1 *1134.9883*@1.2563751 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 115294 95049 103052 51808 84864 75416 99713 107752 68734 1 1 1 1 1 1 94824 102656 103633 1 1 1 1 1 1 37846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93690 102468 1 1 1 1 1 1 1 1 1 86755 *189.1006*@1.294 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *156.0005*@1.2950001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8073 1 9325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *616.2893*@1.2945 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3797 1 4301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *250.159*@1.2986499 raw intensity 100310 110013 103898 140351 132857 133227 117734 109395 113094 25768 29756 29832 94312 88222 88751 27332 27234 25273 19720 20218 19927 1 1 1 25298 26781 27551 52969 52328 59942 23710 25092 24921 12970 12947 12210 21614 21556 23840 20605 21692 22009 22602 19799 19756 20414 22088 20210 22912 23519 20231 23248 23710 21936 157543 150335 157021 24988 23294 23103 23733 24208 22996 *664.3761*@1.295 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *469.2095*@1.296 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *698.3932*@1.296 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *678.3879*@1.2735 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9567 1 1 1 1 1 1 1 9069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *674.3613*@1.297 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *580.2719*@1.301 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *620.3903*@1.301 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *108.0571*@1.28813 raw intensity 18761 14767 12371 21410 11816 10497 10520 21632 12566 9980 8302 7536 16936 14698 16107 14732 1 12451 1 46953 44598 15559 16872 1 17167 11906 14304 34887 33699 41872 33147 1 56793 5793 7738 6131 59094 58526 51653 9864 12324 5010 17347 11485 1 33099 17911 18283 1 1 11172 1 1 16492 16559 16130 17507 16897 28666 16442 23056 37375 30850 *694.3885*@1.303 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *612.3002*@1.303 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *385.2065*@1.3016666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4839 8820 6765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *322.153*@1.306 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *478.317*@1.2305555 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17798 3205 1 1 1 1 1 1 1 1 1 1 1 1 1 7889 1 3636 20275 26419 1 1 1 1 1 8855 1 34158 1 24533 1 1 1 1 1 *82.0417*@1.2454444 raw intensity 1 1 8002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19564 1 1 1 1 1 1 1 5518 12447 11295 12314 1 1 1 1 1 6048 1 1 1 1 1 1 1 1 1 1 1 1 1 5184 1 1 1 1 1 6007 1 1 1 1 *128.0836*@1.3239475 raw intensity 40710 1 1 15622 1 20040 10853 32355 11773 1 46691 1 1 1 44978 1 1 1 61648 65609 60445 1 57165 53542 11297 7560 1 53817 55696 56265 70035 67975 1 1 1 1 47153 46660 48144 1 43866 45285 51980 1 53352 1 43742 51311 18458 42616 25324 89588 1 63261 1 1 1 1 48306 42515 1 223348 37415 *195.0865*@1.315 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *400.174*@1.2663333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12800 5618 1 1 1 1 1 1 1 1 1 1 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *494.2308*@1.2889999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12392 1 9178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *572.2303*@1.319 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *452.1939*@1.3254615 raw intensity 15769 20613 25202 10391 1 7455 1 1 1 1 1 1 16640 14378 14309 6031 1 6547 1 1 1 1 1 1 1 1 1 1 12060 14189 1 1 1 1 1 1 1 1 1 1 1 7983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *420.2027*@1.253889 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21379 1 1 11929 5718 1 12578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26859 1 34255 1 1 1 2581 4013 1 13498 1 1 *542.2424*@1.3308749 raw intensity 1 4117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8195 11703 12318 1 1 1 5842 6108 1 1 1 1 6336 5934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid raw intensity 43026 41182 43171 38109 39606 36395 103847 101743 106253 143470 132945 143052 30189 29280 29598 91473 99340 93323 58299 56918 60735 108666 100576 101605 186250 171623 182482 132739 132701 131240 129818 133683 123606 50747 54436 46417 50623 52094 48730 15269 13813 14754 34491 44954 41884 90755 95158 101935 85055 84131 87858 202690 205157 209122 32117 28425 31892 62156 73411 61882 96155 115612 119962 *500.1956*@1.334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8078 1 1 1 1 1 3771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *528.2289*@1.3366 raw intensity 1 1 1 1 1 1 1 1 1 11185 9394 11437 1 1 1 12220 7375 12266 11680 1 1 1 1 1 1 1 1 1 23701 22133 1 1 1 18532 20737 1 1 1 1 21172 21586 21194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3989 1 1 1 *514.206*@1.3376471 raw intensity 1 7659 10101 1 1 1 1 1 1 7531 10785 9281 10936 7383 1 9925 1 1 1 1 1 12586 11083 12176 10135 1 1 1 1 20629 1 1 1 16184 1 13234 1 15549 1 17274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *475.1759*@1.3261501 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13217 1 1 1 6388 8571 1 20422 31404 33017 10423 8544 35587 1 1 1 1 11922 12551 12651 1 10602 1 13159 15159 1 1 1 8757 6388 8982 7081 1 5473 1 1 1 1 1 1 1 1 1 *513.1598*@1.329 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Digoxigenin monodigitoxoside raw intensity 160860 153971 159629 187150 192281 189177 159530 162130 162128 33451 34357 32736 136901 146004 147798 26773 29538 25855 49988 52620 54444 231064 230892 236985 73903 73467 75428 37106 38944 37451 48748 47659 44776 18909 17589 19125 43678 43139 44550 48240 45040 47605 31028 33236 34397 40826 42819 45587 46120 46647 50157 25900 25108 24792 215267 218154 216391 37997 38451 40349 35616 39118 40395 C15 H27 Cl S raw intensity 7793 9081 6518 8532 1 8385 1 1 1 1 10487 1 1 5761 1 1 1 1 30344 24311 29313 23757 33377 30001 34362 38641 38316 40582 46517 40251 23488 24336 17753 1 1 5948 28944 24769 25991 9881 10075 1 1 11475 1 9385 8697 8298 16285 12482 13548 1 1 1 17889 14454 17707 8690 1 1 1 1 1 *332.1022*@1.333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *466.191*@1.334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *556.1674*@1.3177351 raw intensity 14251 1 15095 1 1 20779 1 1 1 1 1 1 1 17519 1 1 1 1 19279 1 1 8233 1 9248 1 1 1 1 1 14344 1 22371 23778 9618 5669 1 14846 1 15205 1 1 16616 11704 10116 11049 5262 11852 1 15407 16339 16436 10315 11767 10463 12006 10007 11425 12425 13622 12209 10140 1 8735 *88.0525*@1.3452228 raw intensity 42958 41694 40064 30088 25872 30314 58120 58880 55969 36143 36427 35377 33787 26684 26914 61899 61949 62983 101449 103098 100135 72958 78620 74185 111452 103704 104531 80422 80776 80811 98631 105032 100623 51075 49199 49021 51415 49599 50448 40741 39546 39632 55119 53106 56685 57241 55534 57600 37957 36953 34805 59844 59619 57849 64340 63370 65422 72610 66677 65756 66055 84819 84892 a-hydroxyisovalerate raw intensity 81378 70467 77300 1 53191 55580 99278 88046 84294 51325 60946 55745 49641 45196 45629 93784 94143 96184 148812 142111 142889 122313 138947 123591 179394 121875 153772 167456 168480 166154 146358 178626 183362 68984 64031 57394 93368 91650 92434 1 106128 53051 73921 73879 71961 102291 80335 94937 1 1 1 77466 76621 87739 119549 116224 119326 105747 95782 106363 132744 163802 178380 *392.2363*@1.322 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2050 1 1 1 1 1 1 1 1 C11 H20 O2 raw intensity 1 4883 1 23286 22927 9588 51389 36109 55155 11946 31310 11109 5614 1 12954 19184 21115 18915 30488 31888 11847 42576 34929 42593 51316 53730 54690 33290 13825 9911 29411 19372 19950 16051 14824 14934 16140 34905 36096 1 4486 5008 44890 15008 16686 16344 16034 16864 6077 6698 1 57991 48947 49709 1 1 3488 16409 25522 16300 57384 81282 87714 *138.0315*@1.3560277 raw intensity 27448 20190 26693 14174 1 1 23969 1 24158 17576 17674 15739 22051 22271 24016 17577 1 1 1 1 1 37619 1 40972 44853 48430 48714 1 1 39278 1 30640 44024 1 1 1 1 20393 19240 1 1 1 22883 20787 21128 1 1 18035 13502 1 1 1 1 22991 24441 22030 1 33460 40256 1 97858 125736 138106 *215.1511*@1.3542273 raw intensity 1 1 8993 1 1 1 1 9364 1 1 5496 1 1 1 7867 1 7718 1 11173 1 1 1 6840 6418 1 1 1 1 1 7121 1 8242 1 5304 1 5502 7239 7953 6198 6043 1 5201 21513 1 1 6280 1 1 1 1 1 4051 1 1 1 1 1 7981 1 6625 1 1 1 *221.069*@1.2925384 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23593 21401 1 1 1 259252 219512 232198 1 1 1 12769 11429 11519 17967 18282 16706 1 4117 1 1 1 1 1 1 1 1 1 1 1 29033 1 1 1 1 1 1 1 1 1 1 *100.016*@1.3623333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165874 159864 163301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *121.0507*@1.361 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *198.8143*@1.313 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42083 1 1 1 1 1 1 1 1 1 46516 1 *314.1289*@1.3709315 raw intensity 16203 18066 18653 1 14292 1 27644 24045 25029 1 1 1 1 1 1 22630 29314 25718 86444 87673 87096 16596 1 31075 16997 15753 15236 81263 86358 81872 1 28008 24230 11886 15124 1 28193 26313 28395 23625 25658 28853 33402 32060 34286 1 13507 1 37336 39957 50985 45899 51161 45732 1 17050 1 12552 11396 1 1 1 1 2-Hydroxy-4-methylvaleric acid raw intensity 38494 37786 37338 33289 32127 34193 81100 77748 76769 42913 42476 43326 64768 63401 63402 73477 83672 78545 93395 94014 95783 78111 78485 77971 126606 128764 131853 84848 68062 70434 76276 88300 92243 46953 46816 37414 59912 61038 59870 46246 46381 46192 66970 66561 66026 74138 57145 73995 48312 48816 54944 108569 108475 96814 53167 55237 49672 74806 76214 61113 138373 188076 194018 *626.2993*@1.3725713 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4344 4079 1 1 1 1 1 1 1 2382 5302 5375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7094 6299 1 1 1 1 1 1 1 1 1 1 *448.2091*@1.3826666 raw intensity 1 1 1 1 1 2614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 4085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *400.1785*@1.41975 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5171 10051 5413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *289.9206*@1.3411553 raw intensity 13966 1 1 1 1 14619 8454 51933 53074 32866 32627 33141 60017 60376 60639 48207 51309 52395 1 18615 17766 25019 26433 26647 20627 20973 21063 28735 26234 27383 15471 1 1 35643 35654 35108 15682 14066 14171 1 1 1 1 18079 16955 66222 63310 66223 11350 1 1 1 1 13556 17599 22769 21933 5221 1 1 9828 1 13778 *96.03*@1.3755 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *333.911*@1.3733337 raw intensity 35750 34369 75724 40164 38158 39584 31800 28748 31791 34656 4142 36137 27480 30746 30452 20267 22041 22210 46963 50829 48635 65038 64947 65704 54831 58677 58595 75822 74339 72147 44473 40955 43383 5453 41005 39808 41770 38881 39247 36651 35220 37585 46504 45697 44188 41619 41051 40595 78514 28504 26101 33932 32894 34296 53274 54247 56238 38351 37136 37156 31046 32367 36746 *398.9017*@1.357 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10881 1 7744 1 6799 1 1 1 6886 5924 5895 5989 1 4621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *172.0719*@1.3922857 raw intensity 1 1 1 1 10236 10199 15836 1 24768 22076 31497 26504 9517 15857 1 24503 28893 10911 1 1 1 9328 23388 30539 1 22611 1 38578 37559 22711 23220 1 1 14717 9147 21660 5472 12511 1 16443 21563 1 1 25901 1 16427 18438 1 1 1 14247 36715 31436 65582 39699 1 23289 7331 10246 6319 42590 57630 46439 *160.0735*@1.4070158 raw intensity 24831 30947 39109 27346 27269 35259 46014 43321 47469 23760 30484 32876 24109 20871 35128 48070 47328 49251 42448 52518 44752 48785 48570 50677 67743 57612 56971 50528 48725 49271 60263 59791 52137 31359 34191 30489 40552 39879 30144 34478 33923 34159 37777 42692 36228 31908 1 27510 32842 31253 31276 57458 57194 58673 36859 34477 32058 28533 32720 31404 72607 90116 81567 *134.0733*@1.412 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *260.136*@1.4143846 raw intensity 1 4998 1 1 1 1 1 1 1 7678 1 1 1 1 1 1 1 5830 1 1 1 1 3759 1 1 1 1 24115 24910 23092 1 1 1 1 1 1 12249 16734 1 1 7238 7963 1 1 1 1 1 1 1 1 1 1 1 1 8586 11454 1 1 1 1 1 1 1 *370.226*@1.4306251 raw intensity 1 1 1 1 1 1 3983 1 1 1 1 1 1 1 1 9582 1 1 9479 1 1 1 1 1 1 1 1 1 1 8485 1 1 1 1 1 1 1 1 1 1 1 1 7925 8430 6751 1 1 1 1 1 1 1 1 12539 1 1 1 1 1 1 1 1 1 *295.135*@1.4333333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22141 1 17336 1 1 1 1 1 1 1 1 1 1 1 1 1 36982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *104.0474*@1.418859 raw intensity 437745 422987 418783 369335 356724 355488 770696 1 1 224731 224922 226360 316600 310170 304769 737912 738029 754567 506008 1 527058 399150 398786 398549 690757 702272 1 597747 593810 591560 538581 532053 534576 397948 388240 386895 421148 418916 422474 541497 543937 1 938238 933466 1 375389 360439 357666 436235 449512 440015 771312 773292 759361 464611 464044 454766 366356 369375 364349 754799 981531 1009406 *494.178*@1.4075 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 5946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lactaldehyde raw intensity 216091 208521 206225 174551 168699 172091 462559 464919 458675 133465 133815 135002 169830 168820 171230 449423 446513 449611 278124 277254 277563 191113 186067 183034 359388 368843 367803 305934 304046 302454 249773 251714 244652 227496 236848 233988 241591 241527 239578 288561 286766 288469 586241 568161 569353 219046 215375 217470 254628 245221 249026 473078 472130 471913 245604 242817 240866 221374 218215 221210 442895 561523 572065 *374.1282*@1.4345555 raw intensity 1 1 16203 1 1 1 1 1 20043 1 1 1 1 1 1 1 1 1 1 5502 1 1 19359 1 16756 21422 19724 18300 12283 15776 32082 1 24866 1 1 1 1 1 1 1 1 8200 7156 1 1 1 1 1 1 1 4304 1 1 1 10680 1 1 9055 4471 1 1 1 1 *203.9725*@1.4251552 raw intensity 10722 13934 11730 7256 7802 7867 11706 12192 12589 1 6475 6249 7426 13850 7977 12159 13119 11764 12304 12202 12655 1 9596 12327 16010 17519 16389 15049 13748 13267 15891 16742 15352 11068 9891 10157 10679 12713 22265 13647 12809 13454 17203 16970 16318 1 10134 9791 13748 11361 11732 13143 10661 11220 8305 7884 6564 10872 11921 11373 11317 1 1 *180.064*@1.43602 raw intensity 179022 172757 176393 52191 54490 52652 19712 21372 21081 25878 24981 27698 94571 91342 92799 65379 69285 67082 31551 32179 32270 88234 91283 92180 189828 266066 189602 245501 243045 243143 402896 406289 1 211787 206592 204825 1 8658 11461 38625 39280 36886 1 1 13135 287507 281191 284878 1 1 1 1 1 1 1 1 1 63620 57510 61664 89122 115128 115565 *167.0149*@1.435 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *285.0221*@1.4401178 raw intensity 1 1 1 1 1 1 1 1 1 1 69781 1 1 1 1 48904 55410 57624 99301 1 104693 57387 1 1 1 1 1 106796 105961 108973 95186 96526 95719 1 1 1 1 1 1 1 1 1 1 1 1 1 71983 72533 1 1 1 1 1 1 1 1 1 1 1 1 1 46311 50499 *258.0861*@1.445857 raw intensity 1 1 1 10894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21327 1 1 1 1 1 1 5902 6789 52963 56066 58313 9762 1 37341 9980 12750 15378 20709 18975 1 8597 8152 7092 1 5950 1 29189 10114 31751 1 1 1 1 1 1 1 1 1 1 1 1 C17 H9 N3 O7 S raw intensity 23269 1 24351 1 1 1 32407 32026 29894 53554 50640 51046 1 30727 1 32929 34957 37072 56852 54569 51814 36268 37240 36604 28046 27802 1 44558 44746 40217 1 1 1 1 18822 1 1 33882 34962 28045 28505 28262 1 22092 1 52755 52595 52358 30678 30727 29920 29226 30370 1 34871 34907 35769 1 33790 35655 1 28349 29294 *499.0089*@1.4435831 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11309 24444 28101 30740 1 1 1 1 14070 15047 38401 40810 45996 35348 40153 39467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *421.132*@1.4456667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53630 51252 52059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1939.0011*@1.4725001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7140 3410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *309.0994*@1.4536667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117622 1110616 1116726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *626.1871*@1.4549999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9331 9550 9783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *618.4917*@1.454 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11620 10640 11486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *412.232*@1.5205 raw intensity 1 1 1 1 1 1 4115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *496.2012*@1.4477082 raw intensity 9107 8761 9464 8432 10102 1 10519 1 8751 8240 1 7127 9798 11025 9469 1 1 1 1 1 1 9677 1 1 1 1 1 1 1 11726 1 1 1 6425 5909 1 1 1 1 1 1 1 1 1 1 1 1 3514 5194 4884 5035 1 1 5570 8650 6958 6040 1 1 1 1 1 1 *618.6235*@1.456 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *212.067*@1.4664999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9131 1 1 6583 1 7901 1 9361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8880 1 9176 1 1 1 1 1 1 1 1 1 1 1 1 *377.0988*@1.459 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12282 14057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *435.1465*@1.4573332 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11226 10591 9563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *372.0974*@1.4683332 raw intensity 1 1 1 1 1 1 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 2986 1 1 1 1 1 1 37450 36313 35897 1 1 1 1 1 1 1 1 1 1 5556 4989 3896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3639 1 1 1 1 *357.1145*@1.462 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6312 1 8163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *137.0469*@1.4625001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51032 1 27516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *370.2278*@1.4438125 raw intensity 38684 60215 20441 1 1 1 1 1 1 1 1 1 20360 30226 68167 1 1 1 1 1 1 50910 65838 64403 1 1 40895 24659 22285 19588 1 1 1 1 1 1 1 45214 1 1 1 1 1 1 1 1 1 1 35426 31049 1 1 1 1 1 1 1 1 1 1 1 1 1 *112.0515*@1.4280714 raw intensity 77497 1 1 1 1 1 1 73834 77073 61587 1 1 3256 1 1 1 1 1 1 1 1 9644 1 1 1 1 1 1 1 8488 1 1 36051 1 1 1 5805 1 8086 75040 1 74046 1 1 1 1 1 1 1 2436 1 1 28184 1 1 1 1 1 1 1 1 1 1 *96.0321*@1.4481428 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6491 1 11693 11039 1 17128 15267 1 14136 13961 14713 13579 1 14239 1 1 1 1 6904 6004 7072 1 1 1 6936 1 1 1 6146 7553 7211 7548 1 1 1 18978 1 1 15488 1 16141 1 1 1 *427.9717*@1.4768 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851757 1 1 1 1 1 1 1677447 1 2041678 1 233849 1178275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *284.1247*@1.4777172 raw intensity 16494 27974 28953 35245 35081 39759 26005 1 22141 1 19650 22347 14382 15517 14337 1 1 27292 47092 46722 45676 29784 42889 46966 38222 42488 42877 51869 61902 57382 55902 65240 56727 1 1 1 45337 52963 43730 1 30404 1 31209 42609 32794 21151 1 17911 24098 23337 24880 26084 24065 22964 23590 24957 23316 38742 41812 40950 12827 12338 21025 *342.1316*@1.4672499 raw intensity 1 1 1 1 9796 19241 1 1 1 1 1 1 1 24388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *272.1607*@1.4690212 raw intensity 38543 43221 37707 1 1 1 752176 733857 742787 34809 63418 62274 183033 206597 195252 288956 272097 330060 73638 68729 79873 1 104666 1 146308 176423 161741 1 101245 103970 63259 1 1 35741 39288 1 36654 1 33648 32942 32050 31498 54803 49876 56129 25584 24311 23662 45839 41275 17097 1 1 1 1 1 1 47783 46268 46363 176095 960915 995432 *522.1241*@1.4694 raw intensity 1 1 1 1 1 1 1 1 1 1 11580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13141 1 24104 24399 25375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *341.141*@1.4544166 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28636 1 1 21132 20869 1 1 1 1 1 64134 91570 1 1 1 57267 59489 1 52714 57444 1 1 1 1 30094 1 1 32067 38282 1 1 1 1 1 1 1 1 1 *237.0653*@1.478 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *394.1463*@1.479 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *280.1025*@1.48 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *82.0413*@1.5346799 raw intensity 1 9831 1 1 1 1 1 1 12614 21430 7265 21652 11113 10160 2749 13627 9698 1 1 54648 5187 1 9432 1 1 1 1 1 6321 7648 8979 6963 1 1 1 1 1 1 1 1 1 1 15400 1 1 4561 1 1 1 1 1 1 22847 1 10216 1 9774 3808 1 38459 1 1 15608 *267.118*@1.483 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *471.1574*@1.4825001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11563 24484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *122.0364*@1.4944617 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 138623 151385 146944 136700 146581 151608 1 1 1 178413 182267 183301 118305 34678 33039 12366 53962 54082 1 1 1 1 1 1 1 1 1 70730 67370 79097 66732 64881 65930 1 1 1 1 9617 26451 1 1 8360 1 1 1 1 1 1 5729 5746 1 *400.1835*@1.5495999 raw intensity 1 7839 1 1 1 1 1 1 1 1 1 1 1 4843 1 1 1 1 1 1 1 3254 4173 1 1 1 1 1 1 9895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Isovaleric acid raw intensity 9454 1 1 1 1 1 24468 23567 22137 15141 18605 16863 1 8493 9065 36505 43751 38194 1 1 1 1 1 1 1 18864 20363 12073 1 12676 1 1 14842 9538 1 1 1 8047 1 1 1 9321 11943 12241 10025 1 9392 1 11929 8837 5814 1 65558 1 8825 1 1 1 1 1 121555 155302 137606 *146.0574*@1.5044484 raw intensity 1 1 51879 1 1 1 1 1 1 94847 103910 98622 1 1 1 244207 249886 259181 74026 1 60275 104612 81440 71077 103092 104333 116602 62224 58542 60621 72306 79193 79031 1 5462 1 52295 51376 1 1 1 1 1 59561 1 1 1 1 1 1 1 369784 370884 421944 1 1 1 1 1 1 1 1 817380 *483.1582*@1.503 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *186.0392*@1.5586666 raw intensity 1 1 76874 1 83771 1 1 1 1 1 1 1 85958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13589 1 1 1 1 1 1 1 1 1 21454 1 1 1 1 1 45708 1 1 1 1 1 1 1 1 7201 1 59984 1 1 15943 1 1 1 *98.0741*@1.5274051 raw intensity 14459 14077 13752 10878 10697 9508 1 13933 1 11361 9244 13303 13814 13231 12379 1 1 1 1 1 1 10645 11345 1 7336 1 8777 12666 1 7965 1 1 1 24057 20239 19868 1 1 1 1 1 1 1 25459 5862 25762 16251 26854 24185 26889 6626 18905 20207 20670 15061 15727 15041 1 1 5473 1 1 1 Glutaral (Glutaraldehyde) raw intensity 18949 65905 40144 13176 70664 15107 1 1 1 1 13093 1 69739 70761 74269 27790 32575 31387 1 1 1 1 1 1 1 78296 1 33795 33268 38843 32242 31715 32302 1 59539 12039 21720 24324 23258 62220 58348 20570 75122 20884 80435 39105 39999 40983 27333 64721 23132 1 23470 22713 60924 14751 16756 24300 24320 25195 1 1 1 *1039.0613*@1.5224212 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3127 3541 6582 6681 7024 4201 4054 3765 4397 4787 4812 9857 9596 12608 11696 13726 12294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5260 12425 *314.1406*@1.4821668 raw intensity 1 1 1 1 1 17165 13850 1 7736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3482 1 1 1 8600 1 1 1 1 1 1 1 *180.1045*@1.5173637 raw intensity 1 1 8629 1 1 1 1 1 1 4155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18405 1 1 1 1 1 1 1 1 130529 1 1 1 1 1 1 1 1 1 1 110336 1 2704 4505 2344 1 18966 1 5848 7661 1 1 1 1 *244.1237*@1.5624167 raw intensity 1 1 1 1 1 1 88680 1 1 87321 1 12783 1 14514 1 17809 1 1 1 6996 9097 1 1 22254 1 1 1 16762 18045 15367 1 28847 12014 10325 10613 1 13823 13616 1 1 1 1 1 1 1 3457 1 1 1 5849 1 66407 65487 129454 1 1 1 1 1 1 1 111672 423382 *236.1256*@1.49 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274311 C10 H12 N10 O S raw intensity 1 1 1 1 1 1 12656 1 1 1 1 1 1 1 1 39485 39300 37183 1 1 1 1 1 1 31552 30077 30086 20178 1 15326 1 1 1 50378 50022 51127 1 1 1 1 1 1 56289 51249 56290 1 1 1 1 1 1 30885 30607 27914 1 1 1 6789 1 7657 36295 39894 40461 *230.0899*@1.5495 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26476 1 27107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *216.0801*@1.5399086 raw intensity 23539 20967 23214 1 1 1 667561 651574 101311 80316 82320 73654 118412 111925 115709 861045 990443 1069727 240644 244938 256833 104475 106069 111184 1412865 1 1526446 273313 267734 303777 230520 231215 240451 61156 56753 380177 146497 139481 1 98160 84737 97144 681145 664166 675999 161523 148387 166143 120530 1 105543 962809 909164 897577 20301 1 15797 116561 139024 142823 1 1421588 1557229 *1025.0483*@1.5549682 raw intensity 21547 19477 19968 6360 6419 6422 156171 153598 154152 61620 66683 62531 68058 67118 68930 121846 133438 123169 61341 61593 60778 41867 43026 41831 119437 119009 125996 44289 44907 46512 47456 48085 44333 88155 90503 93787 44627 40180 44634 36773 36561 37089 130269 127604 135284 61898 64005 65508 50263 48653 48143 154566 161601 155362 22162 22959 24672 63077 65179 65314 168618 164587 166876 *128.0796*@1.4826 raw intensity 1 1 1 1 1 1 1 9126 1 2951 1 5148 1 1 1 14171 1 1 1 1 1 1 1 1 1 1 1 1 1 5291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *321.0855*@1.5505714 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9082 1 1 1 1 1 1 1 1 14817 13762 16892 17293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10690 1 1 1 1 1 1 1 9273 1 1 1 1 1 1 1 1 *158.0632*@1.561 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H Cl N2 O2 raw intensity 1 1 1 9659 1 9737 35325 35699 34752 26636 31455 31816 1 33302 40374 19828 50765 51871 34614 53262 34218 39323 37356 40596 24024 68598 72558 38852 37185 38467 65465 34104 52472 32623 32648 29964 24453 25892 1 28986 26527 25217 37836 36288 40488 26833 29984 30767 27449 25257 23174 11570 27848 28928 1 1 1 1 27892 30777 1 43380 20875 *97.0289*@1.569645 raw intensity 66022 70006 68930 58320 86271 70023 1 1 1 103921 101978 102241 85706 1 80722 1 1 50092 1 32428 31197 1 68666 85562 1 1 1 47931 1 52342 24300 27737 26330 29854 1 31564 10852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19183 1 20610 1 81180 69434 1 1 1 15947 53119 18951 *312.1248*@1.5734 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243468 223325 1 1 90880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181575 183836 1 1 1 1 1 1 1 1 1 *598.2889*@1.5707142 raw intensity 1 1 1 5785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4069 6016 5289 1 5038 5783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3831 1 1 1 1 1 1 *294.0617*@1.5613998 raw intensity 1 19750 34428 42069 41183 43405 1 1 1 31148 31796 33188 1 1 29451 53903 46598 1 70606 77492 75922 47250 1 1 1 1 52872 75387 74310 72701 118727 113181 127771 63614 58123 61775 75172 74947 71350 43030 44321 44298 43828 43069 1 21440 19168 20441 58122 66384 66303 1 50399 32834 1 1 29670 1 1 12235 1 46428 47548 C5 H12 N6 O S raw intensity 1 1 1 1 1 1 90630 88210 89566 1 1 1 1 1 1 168422 197222 212849 1 1 1 1 1 1 326350 324102 1 114105 115279 113810 1 1 128313 69726 83315 1 1 1 1 1 1 1 121999 119216 113913 1 1 1 1 1 1 128187 133694 129728 1 1 1 1 1 1 131458 242030 288143 *212.0315*@1.574019 raw intensity 10825 10012 9805 16729 1 15108 22483 19160 21627 33558 33037 32515 49261 49802 1 93812 97886 101102 1 21673 18394 22623 24157 25859 26513 28008 29462 55893 50373 53059 34867 33764 33845 1 15387 12593 1 1 14566 10082 7287 1 16857 17146 14784 18204 1 1 10567 11721 14922 20473 22902 19774 13022 1 12079 28755 27562 24648 24728 28171 26977 *183.039*@1.5670488 raw intensity 1060543 967585 933024 1206242 1199744 1191481 1205501 1236701 1283952 1500785 1462675 1460311 990657 1217116 1306560 793926 755923 728186 601272 610666 1 1141357 1146515 1074350 561459 608556 483301 636517 652974 601281 313341 349729 345236 460567 462158 463473 174469 172013 174916 445689 452183 409941 408405 405640 423896 396756 403449 394435 392147 411274 428520 317183 331222 352112 957993 1022541 1030780 229020 220467 228274 209081 261202 277059 *272.0979*@1.571 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *140.0331*@1.5702549 raw intensity 264663 255602 277218 288046 282917 294734 344719 293834 358335 417720 347888 429839 307770 293355 312582 242456 227561 214797 207587 172976 1 325157 355028 324317 184532 169427 169695 176660 172040 181705 60493 84845 105371 82073 119756 125799 51194 1 1 123096 125128 126553 132281 136828 126184 105282 106721 112586 1 123444 1 125459 80634 1 256965 309367 267623 78035 23765 1 1 93475 103321 *132.0698*@1.5713334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21239 1 15939 1 1 1 1 1 1 27866 1 28426 1 1 1 1 1 1 1 1 1 1 21897 21125 1 1 1 1 1 1 1 1 1 1 1 1 *160.0799*@1.6467142 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3674 1 1 1 4911 1 38041 41498 1 1 1 1 1 1 1 1 1 1 5472 1 1 1 1 1 1 1 3175 1 1 1 1 1 1 12687 1 1 1 1 *398.9031*@1.5761429 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11160 9863 11553 13969 15168 1 1 1 1 1 1 16985 9957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *124.052*@1.5824118 raw intensity 1 1 1 1 1 1 1 13819 1 1 1 1 1 1 14207 32974 36081 35315 1 1 1 12995 1 1 27152 1 1 23429 23268 22141 20360 13495 1 1 1 4705 5632 1 1 1 1 1 1 1 5165 1 6393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11750 *168.0411*@1.5826957 raw intensity 1 1 1 1 1 14900 1 1 1 1 1 1 1 1 1 1 1 69846 1 1 1 1 1 1 28411 1 29088 47891 51402 46361 34342 31667 33734 12102 1 11290 1 1 1 5080 7487 1 1 1 1 1 9339 12270 1 1 1 16013 16426 16567 1 9960 12000 18103 17789 1 1 1 1 *140.1336*@1.5843334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3574 1 1 4934 4471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *244.039*@1.570871 raw intensity 1 22198 25919 1 1 1 125483 129801 1 1 43040 43818 49829 1 43479 438536 565297 566150 1 71782 36886 62367 60213 66281 444014 22948 1 538777 611703 551514 369645 353252 1 542803 1 1 1 55454 1 74333 10608 73121 1 1 1 1 1 1 1 1 26616 1 1 1 1 33806 1 1 1 1 1 1 305674 *349.924*@1.5790833 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7276 9491 1 11564 12447 1 6888 1 1 9954 9706 9295 8744 9052 8586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4212 1 1 1 1 1 1 1 *371.8848*@1.5832856 raw intensity 1 4224 1 1 1 1 1 4157 1 1 1 1 1 1 1 1 1 1 9124 1 1 12578 13414 12693 1 1 1 1 1 11357 1 1 1 1 1 1 1 2409 1 1 1 1 3325 4167 4098 1 1 1 1 1 1 1 4088 3441 1 1 1 1 1 1 1 1 4936 *251.1169*@1.5925 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16129 Ribothymidine raw intensity 31383 10857 1 1 21295 9887 1 1 1 1 1 1 16401 1 1 10316 1 1 1 1 1 1 1 1 1 1 1 71921 67181 75962 74537 73262 67500 1 31615 1 1 1 1 41106 35358 42225 1 29061 1 84295 68373 1 1 37447 31267 1 1 1 1 1 1 82715 68008 89280 1 1 1 C15 H25 Cl3 N4 O S5 raw intensity 1 1 1 1 1 1 1 1 8453 1 1 1 1 1 1 14630 15722 15074 8396 1 7816 1 8021 6793 33962 33407 29788 43511 38869 43745 1 17563 1 1 10314 10607 9063 1 1 7698 4959 1 27913 28378 26730 6428 1 1 1 1 1 12439 12885 13407 1 1 1 8967 1 7384 13622 19663 18901 *186.1094*@1.612 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7003 1 1 1 1 1 1 *106.0523*@1.5848824 raw intensity 1 1 22883 1 1 1 1 225243 228765 1 1 1 1 1 1 261680 1 1 1 1 1 63910 1 1 1 1 1 1 1 67499 85058 1 88504 1 1 1 92035 85180 93337 1 1 1 191048 193772 182969 68815 76478 1 1 1 1 1 1 1 1 1 1 69959 1 1 1 1 1 *246.1456*@1.5689257 raw intensity 1 12892 11216 1 1 5599 9822 44345 9117 27844 32174 31281 137109 143770 18634 586878 4976 1 42909 40561 39138 16933 16418 18675 104245 102160 12364 38639 37555 38384 40645 39091 45811 28511 29020 28239 20164 19852 19580 10608 8426 10620 52974 56124 13098 17409 20437 18755 19223 18190 18960 1 1 3405 1 1 1 25677 4550 25969 67707 54132 94582 *104.047*@1.5830345 raw intensity 1505683 2310344 2412549 792319 765884 781796 1 2.26E+07 2.34E+07 1 8529188 1 8914518 1 8977872 1 1 2.21E+07 1 1 1 7237797 1 7275548 1 1 2.28E+07 1 1 6925137 1 1 6934590 1.31E+07 1 1.21E+07 1 1 1 1 4153703 4057466 1 1 1.60E+07 1 1 1 1 1 1 1 1 2.00E+07 2377728 2375675 2141502 1 7989108 1 1.71E+07 1 2.10E+07 *208.2679*@1.5834826 raw intensity 61717 64071 1 1 10429 1 1 1 1 360058 353617 340859 387650 1 1 1 1 1 385264 1 389674 1 1 279089 1357567 1 1 1 1 281854 285077 1 1 614437 597451 1 187400 189864 185704 1 1 125603 1 860782 1 339541 337036 336533 189249 1 1 1158087 1 1 60635 58728 57146 303083 1 1 1 1 1 *983.9973*@1.5824 raw intensity 55454 56226 58078 47079 45108 48619 90539 96411 99633 64706 64381 68450 72918 73105 68392 1 1 1 112533 135031 124755 128597 118957 107488 98374 109634 85361 110087 110245 115785 124500 109871 109135 62409 67431 61916 65936 75807 64329 54093 59635 54176 91059 1 1 84784 74207 80239 56327 54870 53028 109691 104807 109498 71038 71752 71074 76956 72977 74127 1 1 1 C29 H44 S4 raw intensity 1 1 1 1 1 1 5996 1 6957 1 1 1 1 4840 1 19069 21526 18538 5690 5550 6207 1 1 1 20770 1 18173 18114 17806 17142 17210 15443 16969 22860 22939 24083 7617 7274 10425 1 4601 4287 20522 17205 19380 6667 6845 6109 1 1 1 9708 8980 8153 1 1 1 1 8470 1 18737 19167 20456 *104.1736*@1.5836426 raw intensity 1 1 10650 1 1 1 428363 1 1 1 83014 87635 1 95648 94945 1 386857 399981 1 96287 1 66062 1 1 1 1 431742 1 1 64055 66234 66946 65282 1 1 1 1 1 39900 1 26421 1 249276 1 239880 1 78765 1 41221 1 1 1 1 352177 1 11174 11082 73621 70447 1 1 417251 440954 *208.8631*@1.582 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58363 1 1 1 1 1 1 1 1 1 1 1 *148.0368*@1.5869166 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73333 1 1 1 1 1 1 1 1 1 1 138394 85488 142796 1 1 1 148049 1 1 52968 58823 1 1 1 1 1 1 1 44240 1 1 36301 1 35530 1 1 1 1 1 44885 1 1 48666 1 1 1 *270.138*@1.604143 raw intensity 1 1 1 1 1 10683 20203 6571 13837 27280 1 1 1 1 10582 1 1 1 1 1 1 1 1 1 81845 1 94406 19977 1 33105 1 1 37961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13686 22547 1 1 1 1 1 8137 *105.1988*@1.587 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *548.2618*@1.5895001 raw intensity 1 1 1 1 1 1 1 4441 1 1 1 1 1 1 1 8860 12116 9361 1 1 1 1 1 1 11847 1 1 12928 12097 11308 8987 8151 11021 12051 12244 11816 1 1 1 1 1 1 12561 1 9363 1 1 1 1 1 1 8897 6724 1 1 1 1 4895 1 5448 1 1 1 *305.9359*@1.588 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *254.0665*@1.5852777 raw intensity 1 1 1 1 1 1 1 9844 1 1 1 1 1 1 1 39960 37588 54024 1 1 1 1 1 1 45689 1 1 60890 52126 57974 1 51142 40461 51529 1 1 1 13199 1 12583 1 1 1 1 30855 1 1 1 1 1 1 19427 15084 23942 1 1 1 16105 1 1 1 1 1 *406.2072*@1.602875 raw intensity 1 1 1 1 1 1 1 1 7469 1 1 1 15179 31423 1 1 1 1 1 1 1 8751 1 1 66063 1 66780 1 1 12815 27651 40807 1 1 1 1 33032 40395 1 1 1 1 1 24264 10963 1 1 1 1 1 1 26290 12336 17449 1 1 1 1 1 1 1 1 1 *72.0566*@1.5806856 raw intensity 1 1 1 1 10240 161167 45977 5353 1 1 1 1 1 1 1 1 1 1 14949 14851 123913 164189 1 1 1 37271 273062 241039 342567 182821 25801 394007 25047 65266 6693 7096 11611 1 13620 1 1 57184 1 1 6173 8843 5680 8395 19043 21385 1 41711 41710 1 42603 1 1 10520 18978 22080 1 1 112884 *274.072*@1.5903333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228545 230422 231700 1 1 1 1 1 1 29222 28613 27525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36119 35370 36229 24907 23260 19660 1 1 1 1 1 1 1 1 1 *60.0219*@1.5948063 raw intensity 73957 71453 72236 16447 1 19576 1786515 1821673 1885637 339206 334715 322639 387212 381452 386067 2315619 790522 637342 321565 304319 284906 403140 389637 388771 679477 727043 382898 111517 108701 105173 1030857 108726 981448 1264294 1244435 898585 276008 248530 274500 108561 106783 105293 486572 484056 490379 509091 503913 211645 193372 163427 186360 529840 525034 525646 105661 81026 67334 204222 199853 414165 723181 913463 382953 *517.1624*@1.591 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11127 1 12891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *320.2371*@1.6465 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5951 1 3200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Adipic acid raw intensity 49687 43705 1 15874 35575 28486 49891 50178 1 30763 1 31086 30821 24554 30839 1 1 1 1 1 1 1 1 1 1 1 1 43650 41847 42264 1 1 1 47587 20715 22679 28424 19636 19918 41755 1 39725 1 20055 17775 41569 42877 23935 37844 14283 48145 1 1 1 13345 43865 13239 17362 16574 39715 1 1 1 *333.9107*@1.5920641 raw intensity 254132 278585 259623 299489 282887 290882 254555 254457 256738 166313 154291 165907 240415 236956 233413 182704 199720 202393 458741 471280 461969 826982 806329 805933 569247 562842 552382 642100 628903 600393 444986 428108 443808 105777 98927 95567 243073 237181 240939 208877 212156 193375 230219 235356 214726 221286 226687 212151 163437 171254 176578 207338 228616 218903 384427 384482 374039 219614 206414 197275 141536 207333 248825 *289.921*@1.5930802 raw intensity 120000 130385 122638 139174 131297 134007 118939 116030 119056 77375 71329 77456 110951 110649 107224 83179 90458 93258 213900 204599 219059 383466 383912 379418 260198 253717 253219 292550 285705 272655 202435 196569 198029 44622 41206 41138 110589 107367 109723 96176 98674 88202 104017 105668 100233 101992 105768 100480 79838 79332 83425 96077 105226 101533 185345 186062 181317 106758 96246 93129 66324 99388 116320 *501.1633*@1.5955 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60122 1 58611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *449.2179*@1.6575 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10575 1 1 1 1 4143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Flecainide meta-O-dealkylated raw intensity 17209 19039 17368 1 1 13579 1 1 1 18384 18889 22809 1 1 1 1 1 37556 198579 198006 198551 73422 76287 71979 58359 42374 56894 32547 24572 35454 67204 69731 71920 16911 1 19149 22549 23088 26744 17366 17879 1 1 1 1 1 13650 1 1 23702 30426 1 1 1 1 1 1 1 1 1 1 1 1 C13 H20 O S2 raw intensity 181787 185013 184425 1 1 1 1 1 1 1 72663 75225 124292 119548 124397 1 329452 329334 1392945 1389402 1 1 1 1 1 1 1 1 1 504498 1 282190 282094 77885 74597 72202 277993 1 269866 142715 1 134052 104614 100241 101984 105465 104397 105812 1 1 1 1 1 1 1 1 66534 1 1 1 1 1 1 C24 H20 N2 O4 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23455 25163 1 1 1 1 1 1 1 33910 31021 32603 29136 28195 27671 25772 28052 22844 16720 20195 1 1 1 1 1 1 1 19503 17198 1 1 1 1 1 1 1 1 12236 9849 1 1 1 1 1 1 1 20943 22381 *373.1178*@1.599 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12626 11439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Octanol raw intensity 174756 179320 171790 149880 143496 145916 100222 100398 101023 123414 120422 124647 116146 114696 117985 125555 138663 146602 242277 235896 239267 223630 214703 213940 191750 190457 187924 286568 277891 274748 210346 220998 217672 124979 113303 106599 145331 140986 139943 113266 115721 112296 123730 126139 115143 107574 110049 107845 126287 131210 133891 109217 111890 104839 111848 112815 107229 339144 326523 321292 87680 148097 164663 *567.4491*@1.5998148 raw intensity 3551 1 2964 3770 4291 3570 1 1 1 1 1 1 1 1 2252 1 1 1 8940 8306 9623 9651 10689 9874 7044 6582 8082 10151 8635 9871 10264 10625 9095 1 1 1 1 1 1 1 1 1 1 1 1 1 2657 1 1 1 1 1 1 1 13924 15806 13286 1 1 2885 1 1 3884 *128.1195*@1.6005735 raw intensity 84470 83674 80965 68049 48096 48839 34090 30037 34391 38707 36189 57543 37415 391799 53626 40097 50578 59090 76405 122562 79467 68954 69899 67935 60107 59373 60949 97177 96409 94283 75397 76315 713157 44953 35988 35694 70440 48711 45250 41231 39268 36160 172931 166771 40906 33709 34226 35822 60278 66371 62029 33398 34572 201541 37823 36378 40834 156042 156684 147156 1 48502 1 *233.9357*@1.6077143 raw intensity 8239 1 6783 5657 8261 9494 1 6339 1 9645 9047 10904 7967 6907 7637 1 1 1 1 9105 1 16027 1 18668 1 1 1 1 1 6705 1 1 1 1 1 1 1 1 4817 1 1 1 1 1 1 5743 1 1 1 5190 1 1 1 1 6778 9330 1 1 1 1 1 1 1 *385.5377*@1.601 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *283.1211*@1.6046667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12726 1 23848 1 1 1 1 1 1 1 1 1 10752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *468.1883*@1.602 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *180.0773*@1.603 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *174.1171*@1.6006 raw intensity 1 1 1 1 1 1 1 1 1 15191 1 19546 22184 1 21700 1 1 1 32021 32777 36006 33761 60555 67737 1 25758 61869 33407 67543 60793 1 59232 61514 1 20073 1 1 1 1 12844 1 28046 1 1 21634 14965 1 1 1 1 1 1 1 1 14347 18460 18559 1 1 1 1 1 1 *577.9796*@1.6053061 raw intensity 10061 11755 1 12807 11332 12002 12237 11411 11823 1 1 1 1 6378 1 1 7858 7477 17459 18113 16600 12097 12903 11594 12746 12854 12298 28283 30348 29433 13477 12101 12687 1 1 1 15105 15368 14218 10536 11226 10135 14546 14541 13372 1 1 1 12020 13011 13329 18494 22370 19350 18802 18234 18310 10453 1 9480 14412 16848 20799 C22 H47 N3 O2 S3 raw intensity 10915 12148 12094 1 1 1 1 1 1 7827 7509 8447 1 9712 1 14950 17399 15499 33725 33422 33169 95320 97428 103928 140687 140656 139444 26045 20910 24899 17340 15118 14871 1 1 1 1 1 1 1 1 1 11111 1 1 17924 19334 19319 12038 1 11984 1 1 11024 17368 16421 17637 9053 13948 12415 1 1 1 *390.1161*@1.606 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15063 1 17449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *84.0571*@1.5921229 raw intensity 1 57693 50326 65496 49668 66777 5614 26830 6779 39417 42531 39049 40418 1 37851 92856 103962 18253 1 115630 100564 82791 76455 79909 55458 55524 50287 74956 74133 74176 109855 139889 92448 74199 50175 72058 61616 1 58931 80408 82364 72344 80590 70926 68858 97737 99690 72487 105223 53547 54287 26796 27249 106583 6896 55700 1 64899 49868 1 105463 190946 177019 *106.141*@1.59 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5159 1 1 1 1 1 1 1 1 1 1 1 *256.376*@1.6091999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7556 1 6584 5234 1 3828 1 1 1 4313 4599 4175 3680 3569 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *524.2262*@1.6025387 raw intensity 44217 36591 40145 1 1 1 1 17319 1 1 34228 1 1 48665 46717 67850 1 71692 41618 42395 1 1 1 65292 75483 72577 81608 115563 111813 108667 240699 235892 229423 1 65517 56274 30078 34316 30065 58850 56861 58009 41411 1 40491 1 1 1 1 21748 30604 24263 26492 1 1 1 1 154059 151460 147206 1 165574 1 *452.123*@1.6106668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 5012 1 1 1 6634 5014 1 1 1 1 1 1 1 1 1 8484 8527 7185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C13 H20 N2 O9 raw intensity 16049 17736 18105 1 1 8925 307150 295597 298934 61532 58257 63137 51031 49721 48860 385740 397348 397825 184275 190678 186628 31307 30826 27495 301332 299824 302268 102185 102213 98558 124001 118438 123524 248101 246576 249459 107050 109020 1 74766 74697 69903 454369 449145 442005 166700 171357 160474 112123 114211 116484 546183 563911 558559 17118 17323 1 146711 138478 132343 558835 660008 680680 *576.2074*@1.6092224 raw intensity 3281 1 1 1 1 1 6270 6364 1 1 1 1 1 1 1 5120 5027 4779 43403 42204 41951 6450 7565 6585 6052 1 1 6487 5916 7918 1 10539 10448 1 1 1 3599 3810 1 3168 1 1 1 1 1 1 1 1 6610 7429 1 10583 10585 9057 1 1 1 1 1 1 1 1 5185 *114.948*@1.6240001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4554 1 1 1 1 1 6630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *222.084*@1.608 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9918 16676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *294.1807*@1.6144139 raw intensity 1 35764 40946 48371 44240 1 47902 44465 54693 43207 1 1 41701 46380 40632 100100 91191 69441 92132 109340 95890 1 1 1 112916 1 1 1 1 37718 114210 64827 156839 1 47026 1 1 1 1 30718 1 1 45389 36427 39929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29897 16186 1 *386.243*@1.6177273 raw intensity 33793 33096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38898 37895 40806 1 1 1 1 1 1 75196 82253 77367 78477 78934 78967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *576.2772*@1.6023334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11642 1 1 1 1 1 1 1 18149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *126.0419*@1.6147777 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5484 1 1 1 1 1 1 19833 21827 23191 3709 14886 1 1 8208 1 1 1 1 1 1 1 1 13118 1 1 1 1 1 1 1 1 1 17350 1 1 1 1 1 1 1 1 1 1 1 *175.0919*@1.609 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *446.1993*@1.6091764 raw intensity 1 1 1 1 1 1 1 1 1 6711 1 9221 1 1 1 1 1 19463 24512 36161 1 1 1 1 1 1 1 16774 22373 28357 1 27012 1 1 1 9816 20097 20435 1 14533 1 1 1 1 12674 6311 11290 9432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *162.0764*@1.6082499 raw intensity 1 1 7889 1 1 1 1 1 1 1 1 1 1 1 11075 1 1 1 1 1 1 1 1 1 1 1 1 20675 1 47870 58407 1 1 1 1 1 1 1 1 8116 9005 1 1 1 1 1 1 1 1 7826 1 1 1 1 1 1 1 1 1 1 1 1 1 *438.1783*@1.6150001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8870 1 1 1 1 1 1 1 1 1 1 9325 1 13231 14344 8963 10121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *166.0488*@1.6078333 raw intensity 129959 124994 131567 81350 83253 79390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144516 276219 274889 272981 1 439028 1 1 1 1 1 1 1 57845 54448 57172 1 1 1 1 1 152537 1 1 1 1 1 1 1 1 1 90088 89335 1 1 1 197884 *460.1862*@1.6110001 raw intensity 1 1 1 3441 1 1 1 1 1 1 9956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *293.1042*@1.6116667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 705258 693806 681072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *561.2427*@1.5995 raw intensity 151636 162265 150815 34253 1 28505 118617 124123 131956 90448 92253 96879 73443 63500 62582 218708 244045 266626 260138 252521 263402 265630 283475 273051 888634 884831 897318 297100 296440 270977 199324 197069 193543 1 1 32722 90154 81557 85674 113611 105817 105192 1 369880 389998 273654 271610 244874 174737 175866 186395 164779 165476 161767 9987 164279 10273 158409 171750 169140 215285 423011 1 Glutaral (Glutaraldehyde) - 1.6054474 raw intensity 1 1 1 1 1 1 256110 250189 251754 101664 108355 109553 124514 120106 120527 399884 345204 364930 280371 239528 161893 286563 411419 402742 501699 511796 510408 157926 157085 166958 175743 178139 193895 107722 1 1 1 1 1 1 1 1 98734 1 1 112138 116835 1 1 1 81834 267807 268463 267933 1 1 1 1 1 1 258771 842412 673441 *370.22*@1.5816 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 24818 1 1 1 1 1 1 1 1 1 1 1 37195 1 31903 1 1 29056 1 1 1 12869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *298.1588*@1.6105489 raw intensity 107429 108317 1 109149 113855 100075 117197 114128 119128 108765 109171 105771 115102 121425 115340 118246 150049 133648 174816 151032 154833 291455 287581 280239 154347 218469 149474 226084 224988 167328 161635 193367 195561 77351 69604 66663 84126 80071 72465 71950 68484 69533 67955 71830 65762 70242 64928 65070 62629 58839 60234 68976 75868 50374 96958 64554 61330 69880 74587 68328 62739 111392 116171 *539.4158*@1.6111112 raw intensity 1 1 1 3810 4361 4119 1 1 1 1 1 1 1 1 1 1 1 3284 1 1 1 1 9450 7193 1 6034 6482 8400 8765 9242 7762 8116 7885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8975 8470 9446 1 1 1 1 1 3607 *161.9822*@1.6128 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7922 7307 1 8643 9017 1 6316 1 8163 1 8335 5478 6685 7022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *73.0543*@1.612 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *256.239*@1.6144475 raw intensity 166607 169828 163331 166866 164441 169516 142327 138433 138761 142662 146306 139458 165305 1 163031 120635 136940 145210 244953 248540 253893 507883 500829 506740 217154 218805 220987 316117 316815 310730 320340 312643 1 102354 97920 91336 103171 102661 97385 98444 97158 97297 1 1 63361 95049 94048 97096 109855 107450 105005 84039 85707 1 155602 151449 148297 97835 96970 94180 46400 81217 96928 *568.2556*@1.6110001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29128 1 1 31874 1 36115 1 1 1 1 1 27874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *117.0478*@1.61425 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44967 1 38682 1 1 1 1 1 49439 1 55192 37742 47465 48222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26378 1 C23 H40 S raw intensity 70508 68466 67749 65758 69753 67491 62044 63137 62937 59334 59652 59048 69453 68236 67931 48434 54537 58718 85873 85691 84636 207272 205385 196932 91459 89531 87577 114991 117275 116105 123126 119758 119487 42767 40594 38787 39816 39231 38736 37532 34007 37258 28645 29843 27509 37863 39259 38445 43189 43265 41273 39553 40412 1 60469 59756 58375 38564 38969 37941 1 1 41603 *384.6626*@1.6620001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12053 1 1 1 6315 1 1 14118 1 1 1 1 1 1 1 1 7296 7580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5752 1 *376.3175*@1.614096 raw intensity 34833 36208 36254 38477 38102 38438 34428 33850 32990 29710 30028 28471 36502 36422 37578 21519 25533 26216 40647 41438 41195 119076 120596 119056 45940 44891 44347 61133 59846 58149 59696 60904 60000 19602 19652 17851 18047 17772 16920 14530 16179 15673 12046 1 10003 16733 15411 16720 19755 20007 19004 16510 15928 15114 30090 31065 29708 16722 15730 16978 9481 13703 15774 C18 H36 O2 raw intensity 144597 131751 128544 138629 117412 135552 124368 119220 116310 111553 112105 107813 136793 135365 133114 96894 109286 116270 168926 172669 173691 448490 448823 444587 188992 183530 197379 248658 263324 243924 253935 248153 262843 76081 72130 69020 72167 77216 69048 68337 70592 77228 51084 45535 48635 70304 63899 70468 77583 77241 76687 65845 67460 65228 113263 115566 113331 67780 69557 69756 38533 61893 63729 *553.1716*@1.614 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18594 20044 19722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *184.1043*@1.6861 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 145877 1 1 1 1 1 29893 1 1 1 1 18486 1 1 1 1 28303 22972 28376 26658 3332 1 1 1 1 1 9927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18050 1 1 1 1 1 *418.1982*@1.6076666 raw intensity 1 4344 1 1 1 1 1 9110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *382.1669*@1.6161001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413003 1 525420 607601 1 1 1 1 1 810219 716199 4317542 1 3260344 537711 1 693893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376635 1 *229.1274*@1.614 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *410.1196*@1.6140001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30810 31412 28699 43930 40491 40353 1 1 1 1 1 1 1 1 1 1 1 1 9040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *426.1882*@1.6159999 raw intensity 1 1 1 12904 1 8560 16441 1 1 1 1 1 1 1 1 1 1 1 1 1 11910 1 1 1 1 1 1 1 1 17145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C13 H30 N6 raw intensity 1 15592 15840 18599 17527 12192 13662 1 1 15924 13459 16169 19129 17705 16985 14874 5308 14120 18954 27775 26165 27736 26394 26632 22342 16293 1 32273 1 33532 25726 33118 15609 11494 10871 12221 8198 1 10841 11953 11832 1 1 1 1 11565 7302 9996 1 11598 4850 1 1 1 1 1 1 11001 8848 11207 1 1 1 *192.2512*@1.6279167 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17318 1 8322 1 16684 16854 1 10662 1 9270 1 1 1 16286 1 14655 27821 27147 26515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9443 *62.996*@1.6115417 raw intensity 311721 310250 310700 303124 283495 300347 427035 417029 451990 338816 334606 333865 373517 379505 368965 683393 704733 716780 689758 666523 657422 792961 1 740523 685956 683798 675339 1 637532 625264 642996 651540 631969 266550 266017 253061 233216 235416 230972 218589 229610 220581 265452 264603 266238 236328 243476 235742 221169 218945 212417 327244 316277 332383 285597 286414 283304 242095 239381 235390 274633 639252 686641 *500.3074*@1.6156818 raw intensity 1 1 1 1 1 1 1 1 1 3008 1 1 1 3168 1 6080 6035 7042 9522 13483 11370 1 1 1 1 1 1 8530 1 12534 8827 1 6881 3279 1 1 1 1 1 1 5082 3147 1 1 4007 1 1 1 4408 5632 4989 6081 4655 6410 1 1 1 1 1 1 1 1 1 *564.5068*@1.6147143 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12098 1 1 1 1 15269 1 1 1 1 1 1 1 1 1 1 1 1 1 5052 1 4784 1 5167 1 1 1 1 1 5934 1 1 1 1 1 1 4792 1 1 *614.2917*@1.6130002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5881 1 1 1 1 1 1 1 1 1 1 1 1 5910 7365 8749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8035 1 1 1 1 1 1 1 1 1 *384.3972*@1.6141906 raw intensity 7061 1 1 9542 1 9354 1 1 14417 1 1 7007 1 1 1 1 1 1 1 1 1 42145 1 1 1 1 1 71506 71463 70135 115153 117408 1 1 1 14673 1 1 8524 1 1 1 1 1 1 1 1 10826 1 1 1 17898 18265 16731 1 1 1 1 7732 6493 13712 1 43835 *192.0803*@1.6152663 raw intensity 611732 608576 593341 721230 698599 718833 969943 970661 963741 553707 556302 546923 552970 549773 556602 1665940 2235819 2395325 2810313 2939063 2937531 2187935 2154665 1 3605758 3614207 1 2929523 1 2714643 3981144 3974283 3981506 1077934 1005048 1005093 705923 699065 687535 994717 977596 921162 1265081 1226968 1047280 905376 821893 856060 689623 680886 687039 1201797 1187821 1170099 511933 498115 478607 590644 592805 586751 954554 1676566 2017183 *384.7323*@1.6166667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5717 1 1 1 1 1 1 1 5522 14357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *379.2291*@1.617 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *228.2079*@1.6170667 raw intensity 24228 24706 1 24330 23945 25430 17908 1 18630 19194 21974 20799 22781 23057 24303 15956 17601 18333 28890 28451 28606 57095 50852 55123 24846 25260 25549 41401 35747 40107 39474 40087 39040 16231 15015 14457 16913 18559 15951 16781 16928 15833 10219 9684 9932 15833 15009 15994 19055 1 18709 13535 14023 13186 25332 24468 24072 16897 16962 16281 7446 11497 11588 *326.1902*@1.6122965 raw intensity 445054 438424 1 396561 410883 412300 466253 477899 507013 450150 453360 433504 504294 503559 509421 553260 625840 677926 767848 790954 804207 1119279 1172135 1111339 879584 900670 1 982518 964830 914722 1015272 991344 1 389824 337633 1 305089 318949 307633 287646 292322 294900 1 1 1 276202 1 1 280081 277859 272533 329483 228593 334250 382780 381694 381260 278624 272288 293272 263126 498969 565680 *280.1844*@1.613926 raw intensity 224361 1 654221 211126 203607 206792 1 18733 1 199327 1 8328 1 1 1 245829 1 1 1 382192 1 1 1 1 1 420245 1 446114 453559 452174 461492 466541 1 188419 1 471255 1 1 1 1 1 1 376414 1 341943 1 437195 394728 1 1 1 1 1 170856 194443 1 278237 1 133659 1 1 1 272591 *854.232*@1.6157734 raw intensity 10727 11479 11155 16813 17334 16759 16570 1 1 14123 14423 13497 10279 11025 10728 13008 14411 15269 19381 19865 1 21102 22667 21939 19241 19581 1 9623 9423 9452 17638 18657 17498 3736 4118 1 8774 1 1 7240 7423 7423 7024 6881 7372 7966 8500 8010 9257 11704 11296 1 7399 1 10028 9489 8835 7353 8426 8000 6332 1 10346 *584.2749*@1.6219997 raw intensity 55784 55400 57339 56201 59382 56858 67977 62923 65545 48146 44242 44467 49068 46992 43480 56256 56590 59923 69022 64275 67067 29161 29769 33102 47187 47210 50734 67738 72352 76157 74996 71502 76021 75397 70666 72314 66139 66072 63400 56888 59178 54992 76502 1 75877 65040 61219 61929 59754 58752 61215 1 75227 75079 1 34228 40382 52315 55688 51860 75055 84263 1 *364.1396*@1.619 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11279 1 1 5170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Hydroxyethinylestradiol raw intensity 353946 357694 352078 350846 346622 354557 455818 442404 461735 366272 361066 359379 360754 415352 402955 1 1 1 618534 639957 636488 938362 933145 1 635784 668187 711451 800005 800566 828785 1 725756 801359 1 1 1 259382 290147 285532 199550 228778 205374 1 1 1 232249 227706 276905 218730 244806 218909 1 216974 271173 316456 316528 314446 219606 257147 232375 1 1 1 *498.1728*@1.6174848 raw intensity 25461 1 1 1 1 1 23040 19195 22260 1 22026 25997 15414 22544 14556 19833 1 1 1 1 1 1 53066 1 35531 43057 39309 37393 45918 49556 1 40565 52035 1 1 1 1 15932 15687 14886 1 1 12819 1 11874 1 10995 1 1 1 1 10777 13557 12607 20397 1 19217 1 1 1 16949 14245 29145 *822.2464*@1.62 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *74.0368*@1.6215601 raw intensity 1 1 1 11533 1 1 1 1 1 8191 1 8747 1 1 8448 19020 25081 1 15113 1 21393 25183 23052 21469 1 1 20056 1 1 26738 1 25733 25806 1 1 1 1 1 1 21676 11147 21098 21565 1 1 1 14850 1 7475 1 11469 1 21960 1 6885 13661 1 1 1 1 1 1 1 *326.3389*@1.6103001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6101 1 1 8977 5198 8133 4936 1 1 1 1 4564 9281 12438 11948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2724 *290.074*@1.6236665 raw intensity 107640 1 1 1 1 1 1 1 72211 1 1 1 1 66613 1 1 1 1 1 1 1 1 82761 1 1 1 1 1 170920 169631 1 1 1 1 1 1 1 1 127359 1 1 1 1 1 1 1 1 1 1 156092 1 1 1 1 1 1 1 1 1 1 89054 1 1 *864.2502*@1.62 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *164.0528*@1.6042501 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7549 1 1 1 1 1 1 1 26997 7420 1 6496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *528.2976*@1.621 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *237.1003*@1.6212002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10206 1 1 1 1 1 1 9101 1 1 1 15412 1 13935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *176.0872*@1.6206 raw intensity 23952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10552 1 10742 1 1 1 1 1 1 1 1 22775 25141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *436.1489*@1.620936 raw intensity 25475 25169 22524 32542 29876 27775 42287 43289 46254 20661 23590 19070 17636 17840 1 58704 71267 69829 103179 112321 117307 50979 54258 52992 90378 87649 88955 105006 103369 98560 123637 124376 122971 47495 43213 40856 34888 34790 35554 32061 28966 28679 52212 49157 49731 38865 43958 31844 46297 42074 43138 73407 72654 72664 20718 20606 20898 27462 25845 24043 57358 106741 116742 *570.2605*@1.6239839 raw intensity 119457 117714 111797 119051 127091 124396 147620 134514 141319 111313 107323 94554 95997 92364 92825 129739 128207 130025 156741 143707 140396 74766 74917 69279 97062 98104 92143 131649 154657 150016 153450 147672 147890 160194 155984 147518 143830 135210 142077 131065 129274 121765 165809 1 159389 133357 129056 127478 145172 137904 146079 152731 138546 170253 1 85999 86623 116397 113601 114589 168034 178342 174943 *556.2439*@1.6241777 raw intensity 108441 104802 91951 98347 97201 96704 118517 112879 117670 91121 89910 92141 77485 80685 76240 105225 102478 106703 101307 110635 110936 56586 54432 54187 85943 66834 72524 106717 108199 107664 117593 111619 116361 125785 128522 123288 107119 109336 1 101304 103141 101161 141112 129439 124060 116490 101831 114119 104975 107375 104273 133075 137910 124967 69687 64283 68572 96998 98021 95135 135362 135502 134108 *280.0454*@1.6227272 raw intensity 1054965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 907778 1 1 1251161 1 1 1974329 1987412 1 1 1 1541444 1471140 1 1 1 1363147 1 1 1 1 1 1 1 1 1 1 1317597 1 1 1 1 1 1 1 1 957060 978308 1 1 1 *266.1529*@1.6194429 raw intensity 65168 48566 64635 54909 65990 54365 81487 82961 78344 41259 42790 39369 78197 77424 64990 61292 75049 86524 85345 89884 90816 111610 119065 107077 96111 100869 97963 107032 108044 106860 101671 106832 103645 1 30183 31774 28355 26450 26145 25937 30121 24292 31500 30183 1 27014 27649 24325 28091 25238 26258 37175 33745 35214 44586 57578 47593 26577 26103 24190 38478 65716 536520 *85.9504*@1.6219 raw intensity 1 1 1 1 1 1 1 1 1 25742 1 1 1 1 1 1 1 7473 1 1 1 6950 8194 1 8932 1 1 1 8920 9846 1 1 1 1 1 1 1 1 1 1 1 1 1 3762 1 1 1 1 1 1 1 1 1 1 3500 4089 1 1 1 1 1 1 1 *536.2547*@1.6173334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21050 1 1 1 1 1 1 1 1 1 34961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21908 1 1 *516.2188*@1.624 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *488.1335*@1.626 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077869 1 1 1 1 602057 1 1 1 1 1 1 1 1 570711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *542.2328*@1.6245484 raw intensity 41447 39142 39477 37182 32446 36863 43124 43539 46630 1 1 1 23452 30019 29114 1 1 35241 1 1 1 15350 15739 17675 24737 23170 22400 40565 38839 38646 1 40041 1 1 1 1 39992 40306 1 1 1 1 1 1 1 1 1 1 1 31046 1 1 43800 1 1 1 1 29553 34074 1 1 47486 46133 *630.2957*@1.6244999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 5584 1 1 1 1 1 1 1 1 1 1 24614 1 1 1 7994 7339 13551 16621 12860 1 1 1 1 1 7585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *496.1259*@1.6253333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14901 17171 16910 24902 24071 1 1 1 1 1 1 1 25603 25758 24988 1 1 1 12614 1 13201 1 1 1 1 1 1 20670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48412 *102.0339*@1.6180857 raw intensity 46088 52155 49599 47946 47761 46388 51877 45985 56736 44649 45087 48726 34971 39506 40907 35806 47599 42380 70987 69752 69917 43591 51049 1 45811 48767 1 92686 94508 93949 112658 110772 113561 59581 74043 65571 1 42347 46417 45404 41632 43334 61990 75749 41840 25861 24747 25828 37540 40199 36329 26030 1 21628 58270 53994 53603 36325 38271 39074 1 58314 63269 *384.1915*@1.55075 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41004 1 1 1 1 1 1 1 1 1 23309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17853 1 1 1 1 1 1 1 1 1 44197 *458.1463*@1.6265 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9921 11004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *608.1609*@1.6278571 raw intensity 1 7033 7952 1 1 1 1 1 9865 1 9899 1 1 6882 1 1 1 1 14360 1 1 1 1 1 1 1 14840 5828 1 6528 1 11727 1 1 1 1 6828 1 1 4536 1 1 4724 1 4754 5374 5049 1 1 6016 6292 5165 4954 5728 5590 5259 4694 4813 1 4944 2999 6512 1 *280.3913*@1.628 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *98.073*@1.631925 raw intensity 1 1 1 27882 1 1 30269 30878 30183 33405 33817 34279 1 1 1 37702 44710 44385 72420 70482 74203 49725 50101 50183 53614 53493 55451 95349 91117 94215 109276 108264 110730 1 1 1 32441 29010 29113 36872 36783 37937 28292 1 1 1 1 1 1 1 1 1 1 1 47535 46299 47797 29436 30576 1 43726 62092 68484 *318.2054*@1.6267271 raw intensity 59888 58959 64871 64709 68750 66789 46670 45781 46219 42170 40080 40366 55206 61098 62978 50852 59739 60211 79298 55473 84923 74501 76810 78481 117200 116594 126657 158436 155853 154143 109779 103499 111349 76867 68207 65820 19873 28374 1 1 18607 17500 1 1 21243 44638 44746 44391 1 1 13151 19822 25895 27141 125396 135709 128738 12848 1 1 44014 87008 95032 *956.9777*@1.602 raw intensity 113156 64701 120081 62049 109750 79099 222924 223437 238893 149171 147632 146658 61921 138887 97069 369375 571939 604898 628255 640485 619567 194097 189971 471646 602141 231344 307315 554147 503765 587569 434476 306897 328453 178229 167672 176839 158753 89111 95347 121857 137686 137922 230944 231118 221135 148458 152728 142675 112690 109950 134883 174914 257720 248694 131559 127561 129449 154793 159266 152104 277783 475748 549105 *160.1045*@1.6439167 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64717 1 62038 59230 60407 136343 126735 133716 1 1 1 5481 1 1 46955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50845 1 44823 1 1 1 1 40761 1 1 1 1 *308.1246*@1.6839676 raw intensity 1 1 1 1 1 1 1 50561 1 1 1 1 1 1 1 36679 1 38296 80703 49042 88158 47888 41997 44550 36795 62003 64517 130664 127479 128866 126967 125715 81949 1 37305 1 1 40472 1 1 1 1 33086 35399 1 1 1 1 1 1 1 45858 44850 38881 30902 30621 31026 1 29816 51452 1 21915 1 *598.2529*@1.6486665 raw intensity 1 1 1 1 1 1 8335 1 1 1 1 1 1 1 1 1 1 1 1 1 7481 1 1 1 4054 1 1 1 1 5848 1 1 1 1 1 1 1 8168 6112 6650 6926 5759 7446 1 6758 1 1 1 1 6600 5408 8492 1 1 9459 3723 6954 1 4314 1 1 1 1 *381.9157*@1.633 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H42 N2 S4 raw intensity 20514 20857 23048 1 20020 20437 27795 29284 31314 20740 1 21303 15107 1 1 17571 22345 21266 1 17600 18504 1 1 1 1 1 1 13212 1 16784 1 1 1 19081 21214 1 1 28063 24380 1 1 1 1 1 1 1 1 1 21749 21483 18810 1 1 25365 18101 18811 16437 1 1 1 1 22838 1 *428.1668*@1.6366667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28091 1 1 24975 1 1 39207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *383.9192*@1.6322 raw intensity 1 1 1 1 12684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32943 1 1 33187 1 39270 38323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *87.9445*@1.637 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *206.0787*@1.6384999 raw intensity 62941 61149 58738 40756 43352 44149 1 1 54584 30140 1 29453 1 59175 59497 1 1 1 1 1 1 1 113084 127078 1 1 1 33828 35605 31617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20375 22735 18252 18812 1 1 1 1 1 1 1 1 1 1 C6 H3 Cl3 raw intensity 206917 190793 194296 202525 208483 198921 153744 154233 154850 137073 139062 137629 180238 172150 174079 123925 142913 154870 341318 344848 348192 602469 601290 599860 341518 362986 370575 431560 426154 430601 430148 439335 429049 88481 81849 81977 149373 143317 140788 122244 122529 129117 103360 100374 106170 108658 108387 112672 131563 126935 129933 123705 118054 119039 163909 161861 162688 128902 130108 136537 80238 148340 169761 C47 H50 S2 raw intensity 11469 10361 10907 12606 13982 14126 8555 8644 10132 14340 12518 10522 8655 6778 7583 8461 11237 10874 11036 11244 1 8535 1 1 1 1 1 7944 8373 8544 11601 14297 14399 1 1 1 6442 8935 6545 8400 7555 6616 8124 5485 6846 7049 6539 7079 6317 5193 4691 6795 7167 6913 9035 8530 9059 6365 5602 6673 1 6651 6895 C7 H3 Cl3 O2 raw intensity 51188 46898 49139 50154 49412 49702 38326 37078 37023 33818 34715 32235 44163 43659 44369 33507 40206 42609 94473 96289 96974 163453 159843 159981 93384 101234 101038 119091 119972 120735 117017 118225 120982 20768 21083 19893 34991 37836 35335 32022 31118 33675 26217 24838 26897 26785 24814 26752 31154 31011 32040 31099 28088 30153 39247 37487 38854 31475 32575 32087 18980 41196 45957 *334.1008*@1.6467501 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17993 1 52412 1 1 1 23452 37245 35949 37024 1 26214 28862 1 1 17015 1 1 1 31573 31734 33136 19322 1 1 12861 1 12676 1 1 39490 1 1 1 *442.2161*@1.6345713 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11317 1 1 10621 27389 16930 15075 12962 1 12359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *422.206*@1.6471428 raw intensity 27832 20385 35905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28162 1 41530 40954 71720 73303 1 1 50181 1 46698 74063 77242 68841 1 1 1 1 1 33740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *94.0529*@1.6463499 raw intensity 1 1 1 12448 11017 18897 1 1 1 5367 1 1 1 1 1 1 1 1 26937 26481 29131 1 1 12096 17216 17798 18703 21713 22122 20993 26422 24329 25791 1 1 1 1 11229 1 1 6600 1 5375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H6 N2 O2 raw intensity 23332 26721 18504 20087 1 19914 8030 1 9014 17271 17757 21090 22551 20217 18251 19034 1 23039 72083 75601 74424 56654 33640 1 43765 45804 45374 50370 60325 55735 69820 1 52711 14747 15406 13955 32913 27664 30910 23005 23587 22566 17396 16843 1 20123 20017 14805 15803 1 1 9418 9640 1 23741 23202 23112 1 10098 18852 6642 12924 1 *1919.959*@1.653 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *410.1958*@1.6273333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22803 1 1 5133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4136 1 *574.2053*@1.6620001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 1 5962 1 1 1 1 1 1 1 1 5330 4521 3587 5068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5390 1 4545 *272.2311*@1.666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3517 1 1 1 1 1 1 1 1 1 8332 7160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1114.3195*@1.6623999 raw intensity 1 1 1 1 5687 6972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5494 1 1 1 5833 6577 5810 6281 5853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5620 4618 1 1 1 1 1 1 *362.173*@1.68 raw intensity 1 1 1 1 1 1 1 6196 1 1 1 1 1 1 1 1 1 6916 1 1 1 1 1 1 1 4446 1 1 1 6269 1 1 1 1 1 1 1 1 1 1 22557 1 1 1 1 1 1 1 1 4753 1 1 1 1 1 1 1 1 1 1 1 1 1 *271.0087*@1.6620951 raw intensity 1 1 1 1 1 1 1 1 1 72660 1 71673 1 1 1 85967 97879 100942 211189 211838 219751 92997 1 92057 110579 114402 114016 1 173932 169656 190448 186096 186767 1 35892 1 81586 81186 82564 56534 55841 54038 1 1 1 79127 82072 80228 60654 62883 63611 72958 74197 73404 56983 56761 58161 73666 74245 73995 1 80532 89554 *159.9476*@1.6796429 raw intensity 1649982 1 4662 1639263 1 1 4948 2671 1247967 1144615 1140572 1 1 6717 1454608 1 1 7380 1 10935 1 15818 14763 1 11429 11047 12707 11476 9307 6354 15365 15492 11760 1 1 1 1 6528 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 4964 3927 1 1 1 1 1 3229 1 1 1 C26 H39 N11 O4 S raw intensity 102831 100626 102490 78366 81492 75142 75075 71675 73430 62433 64852 59511 67808 66364 63795 86543 109548 1 220930 226630 231545 101492 99318 104205 112145 118448 125915 164217 165398 170012 225186 227072 229782 31385 1 1 64583 63568 61180 61258 52568 62111 60175 57067 64246 42972 40156 39362 1 1 18832 1 25862 1 19762 23677 20809 1 46548 52388 44129 80016 1 *983.9967*@1.6906316 raw intensity 180963 171229 181729 208678 218975 204082 1 218939 245067 1 170725 1 276060 275040 283831 386080 401070 1 327662 295072 297917 325179 342248 312548 303428 283758 306765 296285 258509 288898 274351 272231 1 1 1 1 1 1 1 72757 1 1 1 238296 190703 1 70395 1 1 1 1 1 1 1 149384 1 188321 1 88863 1 286747 455560 492681 *518.1326*@1.6290001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 5063 4714 1 1 3710 1 1 3813 1 2997 3981 5806 4990 5159 1 1 1 6117 1 1 8525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *330.1387*@1.7184445 raw intensity 25944 34181 28019 15143 35287 35193 1 1 1 12055 8957 9430 35269 38054 43253 1 1 1 1 1 29201 1 1 1 1 1 31490 26184 26628 32038 1 1 1 1 1 1 1 1 1 7019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *318.1201*@1.6738774 raw intensity 26613 26090 26303 25083 26223 1 36877 36321 36948 14186 16371 1 14931 11851 15540 39598 40203 44285 113957 120230 124254 48173 48124 48479 39357 1 38937 38774 29158 30974 1 48502 45933 1 20085 19066 34663 34658 33551 39103 35711 38749 39041 39301 32983 1 1 1 55428 44631 44557 40971 41082 40338 4339 6922 1 1 1 77990 1 1 1 *232.108*@1.7550588 raw intensity 1 1 1 48819 1 1 1 1 1 1 1 1 1 1 1 19735 1 1 1 1 28243 1 48268 46704 31467 35661 36116 65261 69147 68741 1 44283 28428 1 1 1 1 1 1 1 1 1 25873 25766 1 1 1 14118 1 1 1 1 1 1 1 1 1 1 19753 1 1 1 1 *93.0556*@1.67275 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15913 15318 1 83798 93624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *135.0678*@1.6629473 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17671 83965 83491 85115 116720 21557 129814 10416 1 1 24676 1 24485 1 23770 22003 1 1 1 1 5006 1 1 25604 57857 1 28937 1 1 1 1 1 1 1 1 5330 9605 1 10040 1 1 1 1 1 1 1 *302.1597*@1.683 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *172.0478*@1.689 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *397.2711*@1.6949999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4145 6645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *212.09*@1.7032918 raw intensity 28014 29550 27687 19935 1 1 1 1 1 1 1 1 22676 19752 12972 1 1 1 1 1 1 28574 1 31393 35034 50262 50073 39681 58066 79508 168860 136547 135385 65909 1 59035 1 1 1 12102 1 1 1 1 1 1 54687 1 1 1 1 1 1 1 1 1 1 21624 1 19537 1 1 1 *458.1812*@1.7005 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5690 1 4055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *554.2555*@1.6316668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20460 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10516 1 1 1 1 1 1 1 1 1 1 1 1 *88.0525*@1.6964763 raw intensity 134878 143317 138755 85055 89619 91574 113727 148045 135893 91291 100054 95002 146652 115855 117521 125392 135699 123993 1398994 1403487 1419158 220098 225142 218847 112470 114570 114479 155625 159407 158031 156589 155290 162221 92666 82730 85631 69044 70541 68355 92734 96262 97298 63029 62073 64672 63229 65266 66817 58795 58708 46562 64082 64292 66559 112729 107304 112984 57517 70070 66624 51530 90431 101032 *324.114*@1.7056999 raw intensity 1 2919 1 1 1 1 1 1 1 1 1 1 1 1 5796 1 1 1 1 1 1 1 1 1 1 1 1 11657 1 14083 18790 16320 14769 5408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7883 9689 1 1 1 1 1 1 1 *132.0423*@1.7013649 raw intensity 230186 198234 228027 135550 162851 163781 212310 211960 212909 159789 168821 134170 191528 226293 198240 195520 169692 183698 233799 234264 243325 323202 327038 327937 182745 190127 201147 260089 279786 224665 233227 207728 209338 151700 130485 152270 102937 126228 125104 137348 149421 150667 94950 94195 94348 82647 71437 78203 96270 102439 71669 94238 93475 93686 158377 158069 170894 98128 110192 76670 87912 125006 171856 *160.0828*@1.660375 raw intensity 1 1 1 1 9073 1 1 1 1 1 28058 1 1 28168 32622 22108 1 1 1 1 1 11272 1 1 1 1 1 13973 1 13561 1 1 1 1 1 1 1 9413 1 1 1 1 1 1 1 1 1 1 51016 58056 49770 1 1 1 1 1 1 10891 1 11557 37611 68810 1 *357.1762*@1.7339231 raw intensity 1 1 1 1 1 16730 1 1 1 10437 1 1 1 1 1 20707 1 1 1 1 1 1 1 1 1 1 1 18169 28113 18065 24219 1 1 1 8766 1 1 1 1 1 9761 10954 1 1 1 1 7982 1 1 1 1 1 1 1 1 1 8612 1 9372 1 1 1 1 *170.2069*@1.705 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *261.1105*@1.7073333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39857 37505 39543 52308 49234 48451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19200 17802 18679 1 1 1 1 1 1 *215.1504*@1.7164139 raw intensity 1 1 8714 1 1 1 1 1 1 1 1 1 1 1 27740 34983 44430 41502 63955 62045 1 1 1 1 19111 1 1 43264 41943 46488 35032 53532 33764 23744 27596 25734 1 27629 29969 36394 35539 33842 55676 71383 67538 1 21361 22252 1 1 1 1 1 1 1 1 1 1 1 18604 1 1 45037 *587.2998*@1.71125 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8165 8692 8010 11834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H32 N6 S3 raw intensity 42746 37351 32797 30093 25683 32521 31286 51049 43284 1 12562 14815 20859 16759 21604 1 1 1 1 1 1 28627 34846 36952 11116 7966 1 40756 48807 44095 16494 43021 28820 1 1 1 16894 1 12033 11932 1 20113 19699 14168 17050 1 1 1 1 1 1 1 1 1 24778 26982 1 20636 17153 17138 1 33712 1 *527.2785*@1.7176666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6506 1 12928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9351 1 1 1 1 1 1 1 *444.2628*@1.7041668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14246 15029 1 1 1 1 1 1 1 1 1 23342 24404 8614 1 8633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *158.0533*@1.7349396 raw intensity 1 1 1 1 1 1 1 1 1 88002 93397 93347 69864 1 1 1 57861 91972 1 1 1 294565 119462 1 233067 239329 248288 196633 193059 206963 291065 1 291114 108489 108314 104329 151615 150120 152647 1 1 1 1 1 1 87058 89119 92156 96746 102186 1 73640 75563 75901 78326 81934 82030 1 1 1 1 1 1 *329.1362*@1.732 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *598.2465*@1.721 raw intensity 8166 9172 9702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9597 13153 10356 1 1 1 11252 10450 10342 16866 14622 13011 1 1 1 1 1 1 1 1 1 1 20826 22344 15141 13715 16663 7439 1 1 1 1 9380 8945 9044 8045 1 1 1 1 1 1 1 1 1 *381.4158*@1.734 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H20 Cl2 N6 O S2 raw intensity 95591 84806 90315 71842 1 1 74500 1 1 13394 1 1 51967 15274 16348 1 1 1 1 1 116362 28715 49778 39337 1 53535 87948 121549 86695 55475 151243 81175 127050 1 1 14756 152773 152525 79704 112954 106589 120624 1 87957 120191 117265 130102 1 1 1 1 1 1 1 83516 81774 86800 75360 102163 100981 1 1 1 *371.1448*@1.7073332 raw intensity 6370 1 1 1 1 1 1 1 1 1 1 1 1 4215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *160.1012*@1.6731786 raw intensity 1 20771 1 23668 5309 35705 1 11244 1 1 1 1 1 1 1 1 1 1 1 10085 8262 1 1 73623 1 1 1 9255 1 9653 12304 11199 83260 26327 28466 29429 1 33265 34555 10015 1 1 35567 33414 34008 23766 26545 21800 1 1 1 1 32403 1 1 1 1 28980 1 29868 1 1 1 *498.2382*@1.7526001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10521 1 1 1 1 1 10729 16025 14483 1 1 1 1 1 1 1 11687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *194.076*@1.7613333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24294 1 26610 1 1 1 1 28403 1 1 1 20636 1 1 1 1 1 1 8799 1 8652 1 1 1 1 1 1 1 7560 1 1 1 1 1 1 1 1 1 1 1 1 11353 74863 1 1 *470.2166*@1.754355 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5720 1 22731 24389 24068 29541 27910 1 19291 21578 20781 1 6649 8887 1 10721 11257 8859 7827 9021 12717 12993 11309 10064 1 9607 1 10043 7507 7319 5933 7185 7953 6758 7639 1 1 5629 1 1 1 6119 1 1 1 1 1 *438.0419*@1.7621665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10280 1 25356 26649 1 1 1 1 1 1 1 1 1 1 1 1 1 12984 1 1 1 1 1 1 1 1 1 1 22915 1 1 13400 1 1 1 1 1 *332.1427*@1.7663332 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7258 1 18756 1 1 1 1 1 1 1 1 1 1 1 1 1 6627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *348.0027*@1.7528498 raw intensity 1 29577 1 1 1 1 35871 37921 32350 16486 1 1 1 1 1 1 1 1 193327 192999 193274 60401 1 1 1 1 1 43969 39007 47304 52945 52098 51589 1 18220 19126 47824 42729 46440 38603 38475 37118 30409 30337 30980 24303 25516 1 34000 36406 33187 22727 23058 24935 1 1 23036 25501 27832 1 21741 30700 30405 *296.7251*@1.755 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9242 1 1 1 1 1 1 1 1 1 1 1 5569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *292.5301*@1.755 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *124.0518*@1.7560939 raw intensity 72443 72088 72336 83010 85374 81464 82687 1 92523 1 55133 1 1 42460 45531 1 73871 1 1 1 1 1 1 1 1 1 1 121882 113759 133192 1 1 1 1 1 75248 82012 1 80435 76712 78353 76232 1 1 57806 1 44096 43959 98442 1 94581 1 1 1 111051 105661 108068 108311 1 1 51124 1 41288 *146.2187*@1.7578399 raw intensity 1 1 1 1 20495 19388 15856 17362 15904 1 1 9449 1 21298 1 1 1 1 1 25452 31665 1 1 51714 29156 29567 1 1 37758 35558 1 1 1 1 1 1 1 1 1 1 14042 1 13920 11107 1 14604 1 1 15825 19268 1 1 1 15439 1 17349 1 14496 1 15889 5719 1 1 *146.1173*@1.7567449 raw intensity 49794 49383 49473 49632 50350 49300 40259 41531 40303 35386 1 33895 46676 46165 48523 1 1 1 74128 74543 72599 120930 124281 123673 74633 80146 87358 1 89476 91958 88355 90345 87693 21478 20858 1 44235 45075 42999 38086 1 37881 32328 30051 33307 30412 32899 30899 1 38423 39470 34508 32802 33245 37833 38554 37955 38456 1 39339 1 1 1 *190.1285*@1.7559999 raw intensity 1 1 50123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127266 1 1 1 101202 1 107414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35604 1 1 1 1 1 1 1 1 C10 H10 O raw intensity 223446 211187 223010 219537 220378 221881 175512 191141 175529 157439 159390 157787 203245 210263 211800 1 138240 1 299155 313445 303464 474775 490494 485502 321670 324583 357947 369974 376312 377969 376631 377580 379343 102942 102547 103143 200849 190237 187302 181440 181946 179977 146117 138272 139615 145727 146009 137901 171415 168905 176712 147534 145588 145989 178510 174340 173941 171914 163825 170967 1 1 136066 *282.0583*@1.7426112 raw intensity 76510 78654 79578 1 1 1 1 1 1 1 1 1 60280 49762 69295 1 1 1 1 46197 1 1 79916 1 1 1 1 1 1 38086 1 1 31939 40952 1 1 1 1 1 1 44077 1 1 1 1 1 1 1 68349 56807 72923 1 1 1 61192 65181 69826 1 1 1 1 1 1 *146.1876*@1.7572855 raw intensity 18986 1 1 20447 1 1 1 1 19597 1 12438 15263 1 1 1 11019 1 1 23331 22659 1 1 1 48251 28975 33726 31345 1 1 37840 39303 41028 1 8770 1 1 21051 1 1 15099 14671 17513 1 1 1 1 1 1 15331 1 1 1 15152 14999 16427 1 1 14070 17245 1 7398 9161 1 *488.1655*@1.757 raw intensity 1 1 1 1 1 1 1 5047 1 1 1 1 1 1 1 1 1 1 1 6508 1 1 1 1 1 1 1 3434 4366 3851 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *258.1323*@1.7559999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14408 1 18513 1 1 1 1 1 1 1 1 1 1 8614 7605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C3 H2 O5 S raw intensity 490017 484913 489848 1 493030 492283 425997 430683 431136 384266 389972 387378 465640 1 477916 305660 327631 332059 615832 627867 629613 866774 1 880413 626396 657021 672322 706885 702060 717391 689763 1 696645 292324 279516 283898 451215 450199 447530 1 416767 1 364548 357547 368861 369035 1 363622 406727 412040 400672 382511 373084 1 415913 1 414196 1 409158 412505 258770 333435 348297 *190.2459*@1.7577882 raw intensity 36543 31795 1 38919 1 36569 28610 27966 1 20534 1 25422 33807 38113 1 16394 21218 25833 70336 71712 77179 95778 103808 104041 78249 89209 85382 73727 80681 81930 90912 90443 102040 19108 1 15053 35819 40526 36014 35317 35360 1 28444 25327 27252 1 27366 29507 31034 30347 1 27855 26697 26381 27382 26241 28925 36849 35739 34580 15763 1 1 C12 H30 N2 S4 raw intensity 1 1 1 1 1 1 54856 90259 59912 121386 119955 119978 1 1 1 62594 39592 76584 57418 60250 58955 1 1 1 1 1 57923 57155 56916 50143 1 1 1 45680 31317 28345 42981 45855 45743 29451 40556 51665 83806 78707 42470 94063 1 82628 34595 28376 29572 36972 36006 37512 1 1 1 104483 115969 107436 1130914 1507217 1 C6 H4 Cl2 raw intensity 7617547 7505056 7570025 7629609 7605013 7587245 6694517 6681224 6669216 6099026 6148993 6103909 7209268 7209659 7280209 4896967 5165601 5328541 9287218 9437435 9432003 1.29E+07 1.30E+07 1.30E+07 9573184 9990118 1.01E+07 1.07E+07 1.07E+07 1.07E+07 1.04E+07 1.04E+07 1.06E+07 4640230 4523518 4461864 7031657 7007619 6935279 6549803 6541926 6543530 5686413 5686657 5743743 5743106 5707572 5724705 6431764 6425709 6368992 5969517 5883302 5935742 6457104 6505398 6511954 6531742 6466288 6446380 4136537 5196559 5511485 C7 H4 Cl2 O2 raw intensity 9695754 1.12E+07 1.13E+07 9621013 1.12E+07 1.12E+07 9688329 8435528 8428047 7566366 7572511 8684863 1.05E+07 9052421 9078592 7377185 7906481 8251901 1.63E+07 1.66E+07 1.68E+07 2.19E+07 2.21E+07 2.25E+07 1.70E+07 1.77E+07 1.82E+07 1.91E+07 1.92E+07 1.94E+07 1.86E+07 1.87E+07 1.89E+07 6776427 6618966 6445397 1.15E+07 1.13E+07 1.13E+07 1.04E+07 1.03E+07 1.03E+07 9074047 8988462 9011070 8739706 8682136 8755781 9969368 9965144 9868033 9128301 9024317 9102873 9302581 9355667 9355812 1.03E+07 1.02E+07 1.01E+07 6258855 8107718 8666420 *310.0022*@1.7582116 raw intensity 1 30757 31271 29065 20267 30291 1 26042 1 23875 24663 25547 28932 31835 28460 20279 21032 21538 35605 32685 34063 1 36807 1 26111 1 1 31980 1 30209 27328 24588 24859 8028 1 8176 27931 28314 27203 27551 25465 1 25324 24999 23428 22502 21250 22878 30274 28783 32669 26235 25136 26102 30979 27985 31912 29705 30575 31032 1 21596 22609 *296.5593*@1.76 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *380.0756*@1.757 raw intensity 1 1 4444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22366 1 1 1 1 1 8729 1 1 25318 16242 20553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *764.3443*@1.761 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *190.3375*@1.763 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34174 1 20407 1 1 1 1 1 19176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *401.8979*@1.7615 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72851 73639 75655 121349 120312 124536 107549 110512 112183 117753 128023 127213 125364 130400 129670 122587 122600 123918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72691 84728 *190.2058*@1.7578683 raw intensity 39322 25968 41381 25773 1 1 20207 21875 21068 1 1 1 1 38034 1 18145 36943 40529 1 89776 90975 1 1 102445 87491 115677 69211 1 105932 98737 131400 122973 1 16532 1 18553 44418 1 1 36192 17701 1 1 27309 46313 43594 1 27873 35416 32187 29253 26321 1 1 26088 26667 1 26432 32951 1 1 1 1 C10 H4 Cl2 S3 raw intensity 85425 83723 87103 91776 89067 86286 63755 65352 63193 78484 75233 81547 83557 79735 87583 75730 76249 74001 131472 127950 126870 82132 82519 84231 81510 78781 79947 129241 129158 130261 128339 123048 126176 69955 70927 72062 124427 124190 113088 123536 120021 110259 115459 107401 100100 93743 96673 88636 97758 93140 100610 76508 74698 71019 76592 73541 73528 96103 96811 107439 57778 64753 62231 *1110.9596*@1.7610167 raw intensity 449673 439716 456431 450637 446082 452429 388063 384974 393716 393894 380396 389502 406617 413267 416454 451013 466193 467438 741560 728918 715464 642845 651045 638225 687110 688413 690224 679418 672671 668382 658180 652677 650441 342504 347813 352632 647349 644857 643637 632313 644632 632734 593380 598919 595014 545709 513674 549299 594179 607759 617547 547943 557171 558805 431581 435034 423134 717820 705884 712527 491373 610495 650482 *479.9487*@1.7712224 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16261 1 17794 1 1 1 17735 17996 6609 1 1 12178 21252 22072 15326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *190.2853*@1.7578573 raw intensity 1 1 1 1 13651 9284 1 1 1 1 1 1 1 1 6057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18765 1 1 1 1 1 1 1 1 1 1 12875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11923 1 1 20412 1 1 1 1 *350.7982*@1.7631739 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28630 33223 40365 41352 48640 50459 1 1 1 9146 27570 11680 1 55638 58878 47121 55169 1 1 1 1 1 1 28717 1 1 1 19136 1 1 16174 1 23288 1 28283 24484 1 1 1 1 1 1 28732 25423 1 19237 1 50555 *464.3095*@1.7774348 raw intensity 41312 37705 1 16112 1 4463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5579 1 1 1 1 9849 1 22675 11539 32927 31767 2891 1 1 1 1 1 1 1 13982 15934 23672 20772 3077 1 1 1 1 1 1 1 5454 1 6741 1 1 15452 15586 1 16909 18089 21668 *179.023*@1.7833076 raw intensity 1 1 11164 1 1 1 1 8473 9495 1 1 1 1 1 1 1 1 1 1 1 1 9288 1 1 1 1 1 1 1 21491 1 1 1 1 1 1 10629 8179 10633 1 1 1 1 1 1 1 1 1 1 5978 1 1 1 1 18947 17481 1 1 1 1 1 7395 7531 *826.24*@1.7841562 raw intensity 5755 1 5438 5906 6237 6402 5421 6562 5799 6454 6752 6359 1 5958 1 1 4792 1 6540 1 6785 4741 5158 4413 1 1 1 9069 9092 8949 1 7058 7089 1 1 1 5436 5508 4672 1 4339 1 1 1 1 4228 1 1 1 1 1 1 1 1 6778 6329 7254 1 4091 1 1 1 1 *318.1364*@1.8073335 raw intensity 1 1 1 1 1 1 1 1 1 1 11701 5429 1 1 1 76146 73083 80388 1 1 1 1 1 1 1 1 1 1 1 11675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *254.0884*@1.8043572 raw intensity 1 1 4783 1 5673 1 1 1 1 1 1 1 1 1 7826 19179 13814 17537 1 1 1 1 1 1 1 8709 15032 1 1 10317 1 1 1 1 1 1 1 1 1 6101 1 1 1 1 1 1 6129 1 1 1 1 18873 12241 1 1 1 1 1 1 1 1 1 10042 *238.0884*@1.8078 raw intensity 1 1 1 10783 1 1 1 1 1 5503 1 3847 4123 7929 1 1 1 1 1 1 1 1 1 1 1 1 1 20282 15979 10620 1 1 1 7006 9497 1 7175 1 9891 1 1 11639 16407 1 1 1 1 1 11774 1 16567 14448 1 12323 1 1 1 1 13140 13782 1 1 1 *395.093*@1.8001001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12726 1 1 1 1 1 1 1 1 1 1 1 1 1 18971 1 1 1 19564 18298 1 15339 16488 1 18285 20099 18121 1 1 15771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *198.0742*@1.8013023 raw intensity 44139 22554 44049 32458 31738 28100 16597 1 1 24055 25365 16205 1 36417 40184 17511 20242 19588 7999 1 1 1 1 3924 14374 43310 19104 69000 70563 73210 197184 147423 204108 174601 165842 160627 1 1 1 35838 41090 36705 6606 17587 1 21418 18610 26319 1 1 1 1 1 1 1 1 1 29082 30777 19800 47236 20510 53558 *250.0813*@1.8313571 raw intensity 1 1 1 1 7655 1 17389 1 1 1 1 7474 1 7576 6940 1 1 1 1 1 1 5855 1 5786 1 1 1 1 1 5837 1 1 1 1 1 1 1 1 8613 1 1 1 1 6195 1 1 1 1 1 1 8488 1 1 7922 1 1 1 1 1 5420 6393 1 1 *472.2204*@1.8165 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4840 5274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *296.0555*@1.8440834 raw intensity 9455 50751 1 43676 1 1 12435 1 1 1 1 34741 27397 1 1 1 1 1 51089 1 57436 84569 1 1 1 22824 1 42548 1 59705 50080 45408 1 1 47980 32220 1 1 1 1 1 17292 1 1 15433 19064 16583 19250 1 1 1 1 1 1 95153 26614 1 18369 1 1 1 1 1 *396.088*@1.84425 raw intensity 81541 86606 1 1 83974 1 79384 70265 72071 42514 44069 1 93354 1 99417 24339 29984 32238 34389 33111 36446 125196 98895 141546 37255 37672 42337 29739 29894 40453 51935 56724 47274 28096 32226 29037 27504 27129 22424 31188 32172 32723 28360 32276 24288 31200 31486 27058 29946 1 1 14980 23634 1 81333 74335 129009 22790 25313 22925 1 1 1 *486.2432*@1.8205 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5163 1 5800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *271.174*@1.821 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *496.1226*@1.8162186 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13657 13128 16415 17710 21497 16711 1 1 1 1 1 1 17027 15449 16417 18404 21624 1 14664 16448 18465 13600 16059 19092 21159 22146 18172 12807 12804 10197 19497 16670 17071 1 10597 13799 1 1 16534 1 1 1 15193 14254 12437 1 1 1 *363.0847*@1.9172999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21428 1 1 11537 1 1 1 1 16767 1 1 1 1 7587 18655 19243 1 1 11664 1 1 1 1 9804 1 1 1 1 13707 1 1 9445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *118.0546*@1.8416363 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107850 108676 105718 1 1 1 85572 94139 92895 1 1 79095 1 76972 88605 94422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89793 1 *327.106*@1.8406667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29301 36033 29866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H24 S2 raw intensity 36763 13182 12667 1 1 1 194304 192096 203080 20313 20300 18784 47290 47944 52488 48392 49209 53612 1 1 1 1 1 1 14398 26786 15878 1 14361 14587 1 1 1 1 1 11355 6848 1 11077 9631 4665 1 17647 16428 15918 1 1 1 6849 1 8171 99445 95574 94861 6091 7968 13193 13868 1 1 145226 163997 172866 *630.2929*@1.842125 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10338 11850 5712 4904 6774 1 1 1 8813 1 8237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8264 1 1 1 1 1 1 1 1 1 1 1 C23 H36 N4 S3 raw intensity 28984 23452 25109 18143 17114 20537 32186 32364 33358 25246 25882 23814 28128 27077 26721 25398 1 24480 22535 23545 22104 25682 1 25096 20992 21637 22234 28641 31335 28138 15528 16653 15908 1 1 1 14623 16293 1 14245 16679 15728 16674 13812 13220 13835 14773 16031 26294 25525 26801 27828 30339 27723 21346 21319 22338 17674 18157 16000 1 19485 1 *492.2393*@1.8407427 raw intensity 14100 14720 14585 9828 8593 8446 13196 14297 13684 11266 10515 11065 12566 10802 11006 1 9817 1 1 1 1 12311 11883 12542 1 1 1 11615 1 11723 1 1 1 9369 8727 1 7553 7294 7028 1 1 1 1 1 1 1 1 1 13295 13671 14144 11822 12508 11876 1 11596 1 1 1 1 1 8590 5883 *152.0332*@1.8410323 raw intensity 219774 224877 225197 140502 131294 137915 212175 215856 218916 180378 176161 181441 185408 182353 186207 182403 190717 192724 168506 169290 101007 138348 138590 139026 153855 156931 156025 257911 258374 259885 126694 129392 131766 141299 138366 138202 157140 156528 156853 99312 100908 98597 119014 119058 119947 100219 102694 102129 195586 202153 197278 199546 198614 202151 165237 168879 168512 119177 112870 115066 142877 168405 168280 *478.2229*@1.8419336 raw intensity 32733 35881 35545 24308 22843 22053 34733 34097 34924 29771 28076 29175 28678 27655 31460 26169 30464 34652 23551 26534 22323 28773 30110 32268 27440 28761 26288 29073 31437 31269 17883 16900 16028 16330 17046 18294 19639 44040 21327 13782 15363 14205 16379 15180 14929 14796 17686 17077 32258 34821 35213 33683 1 1 1 32828 30119 22242 21081 21582 19527 17638 16453 *644.3089*@1.8420954 raw intensity 4409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14051 14508 14593 9800 7554 6727 1 1 1 10643 11813 9148 8124 1 7295 1 1 1 8719 5246 6720 8476 8569 7363 1 1 1 1 1 1 14681 1 1 1 6489 6114 1 1 1 1 1 1 1 1 1 *437.1294*@1.8455 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18543 15501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *450.1893*@1.8428235 raw intensity 12571 10084 9850 1 1 9099 10587 10764 12167 1 10901 8250 10103 9115 10758 1 1 9824 1 1 1 1 10121 9203 1 1 1 10341 12044 12850 1 1 1 1 1 4311 5906 7102 6619 1 1 5020 1 1 1 1 1 1 10547 8412 10659 11588 11602 10631 10941 10649 11422 1 5222 6729 1 1 1 *382.0988*@1.8725 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7101 8306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H4 N2 O6 S raw intensity 1 1 41774 1 29095 27822 60644 63791 70667 145662 180681 190233 1 70432 87034 65741 90998 48489 30816 31172 33205 1 1 1 1 1 1 40325 1 42825 1 1 1 36779 56977 27777 1 1 1 1 1 1 1 31639 1 105744 1 56302 1 1 1 53486 32287 35407 50751 1 1 29963 96762 1 46463 1 39490 *114.0848*@1.8645715 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100451 116260 1 99626 67508 1 1 1 1 1 1 30411 28611 27141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *318.123*@1.8681601 raw intensity 36937 1 1 1 71212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90879 91359 88341 1 75919 84002 206525 1 208401 1 1 1 36829 1 42354 101971 106116 99477 71588 86275 65925 1 1 1 1 44830 1 180705 1 200848 157806 218138 1 1 29480 18462 1 46316 1 1 1 1 *528.1697*@1.85385 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13025 8798 1 1 1 19085 1 1 11368 11160 7522 1 10146 10785 1 1 1 1 7105 8530 7921 7122 7253 1 1 1 6502 5534 7513 1 1 1 12212 1 1 1 1 1 6820 12794 6318 1 1 1 *508.2293*@1.8673749 raw intensity 1 1 1 3619 1 1 1 1 1 1 1 1 1 1 1 1 11860 1 1 1 1 1 1 1 1 1 12633 11560 8571 7615 1 1 1 1 1 1 1 1 1 5077 1 4345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *196.0584*@1.8730743 raw intensity 166344 159799 149688 65872 66620 63492 1 1 1 1 1 1 134304 95397 97011 1 1 1 1 1 1 1 1 1 49834 54345 47547 91018 88026 88491 160518 147298 162813 144612 190814 138818 1 1 1 1 1 1 1 1 1 84975 82216 84777 1 1 1 1 1 1 1 1 1 1 1 1 39156 43476 46301 *573.2853*@1.8729999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15249 12991 13342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10718 1 11460 1 1 1 1 1 1 *559.2678*@1.8751999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13226 11330 12340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9559 9337 1 1 1 1 1 1 1 *330.1134*@1.8980001 raw intensity 1 42449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12540 1 1 1 1 1 1 1 1 1 16145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *292.2558*@1.880353 raw intensity 1 26848 29704 39806 41459 1 1 1 34280 1 1 23683 1 1 1 1 1 1 1 6287 6123 1 89111 94738 1 4721 4895 1 6048 3961 10772 1 11444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12278 1 1 1 1 1 1 1 *247.0971*@1.8666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27648 28911 28116 1 1 1 1 1 9953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58059 1 1 1 1 1 1 1 1 1 *292.1132*@1.8730625 raw intensity 1 1984624 1 1 2812534 2705231 1 2354761 2393270 1793770 1701477 1783351 2781439 2802738 2910662 1 345081 1 737329 180712 763393 1 4716125 1 534613 487150 502660 434931 472367 477534 1015814 1036052 1073388 329439 484187 491792 370974 395092 188268 1 511651 504537 230533 212770 243737 427225 432157 440041 1 682425 681281 1 485119 464311 1181727 1125039 1190771 1 436103 54250 1 1 1 *332.1063*@1.8593751 raw intensity 1 1 1 1 1 1 1 1 23171 1 1 1 1 1 1 1 1 1 1 72455 1 1 1 1 1 1 1 1 1 12827 1 1 1 1 1 41861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30797 26865 31750 1 1 1 36731 1 1 1 1 1 *704.3038*@1.8836666 raw intensity 1 1 1 1 1 1 12549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7007 5315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *618.299*@1.8372222 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3804 8415 1 8703 1 1 1 1 1 1 6739 1 1 1 1 1 1 1 7185 1 1 6057 6015 1 1 1 1 1 8306 8881 1 1 1 1 *272.1035*@1.906 raw intensity 1 1 1 1 1 1 1 12094 1 1 1 1 1 1 1 1 1 1 178536 1 1 1 1 1 1 1 1 1 1 4841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *587.2711*@1.883 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *504.1703*@1.8943334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5508 1 1 1 1 1 28071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9792 C24 H50 N18 S4 raw intensity 1 1 1 17099 18746 17835 17702 18579 13758 1 17447 1 16670 18835 16442 1 1 1 9035 8245 8090 21177 20692 20692 5039 1 1 10608 1 8423 1 1 7978 1 1 1 9629 1 1 12773 1 1 7493 6116 1 10362 11023 11247 11663 11400 1 9381 1 10927 1 1 1 10558 9480 11257 1 1 1 C7 H15 Cl N4 O2 raw intensity 20150 16439 19576 21811 23242 22478 40839 23621 21004 14332 14425 13962 15223 14962 15189 1 5809 1 10791 11516 1 23999 26215 25531 1 1 1 27297 28338 28359 1 9426 10150 9259 9903 1 10196 10628 10276 8556 1 8470 1 1 1 1 11223 1 1 1 1 1 10717 11059 17354 16569 16404 2433 5741 8972 7744 10599 10888 *320.1149*@1.875 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9537 1 1 1 1 1 1 1 1 1 16800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18724 1 1 1 1 1 1 1 1 1 1 *322.1243*@1.8872858 raw intensity 1 1 1 1 1 1 1 1 1 15196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14188 15110 13671 1 1 1 1 1 1 1 1 1 1 1 6991 1 1 1 1 1 1 10511 1 1 1 1 10931 1 1 1 1 1 1 1 1 1 *170.2083*@1.887 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *98.0729*@1.8865954 raw intensity 23327 23250 24914 21984 21038 19880 20791 20498 21087 13265 13743 12349 20515 21547 21193 1 1 1 11775 12903 13548 16056 15053 16858 12744 12017 13834 14853 1 14243 13061 1 1 1 11305 10935 1 1 18068 11057 1 12319 1 1 1 1 1 1 1 1 1 1 12270 14897 21523 20828 20982 14428 13521 13681 1 11509 9997 *478.1689*@1.892 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1039.0292*@1.8950834 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3721 1 4363 1 1 7922 1 7806 7139 4124 5465 5344 7726 7919 7284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11591 1 1 1 1 1 1 1 1 1 1 1 1 1 *321.1166*@1.897 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6005 1 6038 1 1 1 1 1 1 1 1 1 1 1 1 *331.1057*@1.9136668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52111 1 1 1 63028 65604 1 1 1 46080 1 1 1 1 15468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32110 1 31697 29788 1 1 1 1 1 1 1 1 1 34777 1 1 1 1 1 *248.0968*@1.895 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *142.0624*@1.8911303 raw intensity 42246 39616 38714 34559 35743 42078 34934 35406 34643 23214 20342 21086 1 37231 39105 40720 54701 38361 35088 32691 36025 29394 1 30290 34833 29954 32194 27181 26315 39412 51100 114400 46426 31317 1 30291 40866 39077 39855 28101 1 1 20589 23420 21092 1 1 1 1 1 1 1 1 1 36286 35832 38998 33239 31225 31567 1 1 1 *384.737*@1.9093333 raw intensity 1 1 1 1 1 1 9478 1 1 1 1 1 7935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *983.9968*@1.9010638 raw intensity 305403 306036 305623 246661 241403 239686 286231 294755 307923 204916 201468 200249 222767 227433 224496 170336 154972 143162 153713 146799 146677 125754 128222 119934 109573 107232 104966 195213 192112 178857 130614 125498 136951 180710 194812 209724 284822 293614 293166 260346 264451 245204 263787 271674 266804 219262 215606 215562 343967 351802 356543 357090 363575 368512 378576 383998 381343 260167 254823 251032 397467 310161 285833 *117.0471*@1.8941876 raw intensity 42008 1 1 1 1 1 1 1 1 1 64978 68875 1 60468 1 1 1 1 1 1 1 1 1 1 1 18609 72561 1 1 85494 1 1 1 1 1 1 53146 49404 51344 1 1 1 1 7270 1 1 1 22412 1 45817 1 1 60706 78391 1 1 1 1 1 1 1 58357 1 *204.2012*@1.8935455 raw intensity 1 1 1 1 1 1 15211 15372 15167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9219 9120 1 1 1 10231 1 1 1 1 5442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24335 23456 1 1 1 1 1 1 15919 1 32857 *118.1585*@1.9027141 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 6798 6936 6951 1 6845 1 1 1 1 4453 1 1 1 1 1 1 1 1 1 1 1 1 6335 1 1 1 1 1 1 1 1 1 1 1 1 1 *62.996*@1.9043329 raw intensity 120488 121243 123024 82090 81206 73420 100877 100563 117361 98086 100275 96876 112135 104724 141936 107445 106330 112028 135807 141775 142582 100359 121057 94544 91764 92925 91206 163735 196595 187345 126755 127310 125249 82184 82987 84662 136323 137675 134191 108501 111654 1 73607 73747 71436 64074 59210 59144 1 131077 1 134483 126903 132270 151632 159425 163592 69196 70429 70765 143928 204351 209696 *242.2199*@1.901 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *118.1195*@1.9022633 raw intensity 10496 25634 1 1 1 1 1 1 1 1 1 1 1 1 1 6144 6787 1 1 1 15575 1 1 1 19477 1 1 1 26479 26255 24666 23729 24419 1 6497 1 13414 12664 1 5570 1 1 1 1 1 1 7453 1 1 1 12002 1 1 1 79085 1 1 1 6020 1 1 1 1 *236.4444*@1.9000001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2695 1 1 1 2700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *74.0379*@1.9009312 raw intensity 439097 453081 450785 275324 271753 277033 204645 199202 206597 291575 296508 301335 403443 404904 407870 320410 337103 366062 532126 541134 1 729928 742507 745830 648474 675711 689597 1 782699 785185 1 711540 1 304951 300184 300345 489823 1 482375 272791 276917 270851 311702 317104 318508 325525 320541 323629 473978 475365 477130 318004 328107 329083 237692 244569 238340 283102 279427 282699 230555 308847 336887 C13 H24 N2 S3 raw intensity 37779 35148 35259 1 30848 16257 374865 392061 367635 59381 54026 44400 47902 46507 1 190458 205522 221278 1 23942 1 1 57995 39429 85737 88104 1 190678 166242 144704 1 30565 1 179233 136541 155767 114076 1 99041 1 66735 110927 54739 64847 1 1 1 1 83529 76707 1 436676 358220 416555 1 28595 30248 1 1 1 65768 274667 303540 *100.0161*@1.9013443 raw intensity 88147 88707 89700 58664 60157 57095 1 40694 43088 60094 59854 61809 81152 82166 80491 64205 69891 74072 111205 111839 116609 160802 159425 165761 144645 148367 149303 170967 171528 170531 157340 158137 162394 64478 63321 63149 97043 98010 99701 56215 55920 54932 68071 1 65184 66552 68562 64992 91166 94020 94581 62932 63810 63577 53773 53016 54937 57745 60688 58807 44904 60632 66695 *118.0281*@1.9019287 raw intensity 636543 656471 1 451720 1 1 1 1 1 1 522360 463623 1 1 1 1 487254 520901 780828 792751 1 1 1 1 1 1036459 1056638 1 1 1200383 1 1075132 1099219 1 1 1 644642 1 677954 1 384803 1 427923 407646 411958 445219 1 442026 1 1 656461 1 1 1 347266 1 1 376709 350571 379689 1 1 412169 *284.2696*@1.9029659 raw intensity 14023 12280 14360 7585 10334 9248 9206 9798 11784 8131 5850 6987 1 7608 1 16737 11866 11165 31774 29937 1 1 13380 14793 19935 24265 13263 21612 24521 20060 32193 18501 16651 12722 8696 10581 14747 12766 12952 12314 20499 11600 12551 13596 12121 12639 11386 10648 9501 11975 11576 9758 12573 10660 13342 17221 13152 19566 11397 11305 20421 19665 17898 *436.1893*@1.8922856 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985707 982069 1012442 371410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599485 331654 329787 1 1 1 1 1 1 1 1 1 1 *228.2083*@1.9032941 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 1 4063 1 1 1 1 1 1 5449 5616 5765 1 1 1 2770 1 1 4586 1 1 1 1 3228 1 1 1 1 1 1 1 3223 2971 3657 1 1 4591 1 1 3553 4075 3055 1 4355 5041 *384.3951*@1.8910002 raw intensity 1 82428 1 1 1 1 109135 108336 1 1 71817 70218 1 96895 114038 11874 1 1 1 1 1 1 1 1 1 1 7143 43341 1 44247 1 1 1 1 1 13851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16296 1 1 39259 1 1 1 18580 1 1 1 C11 H23 Cl O S2 raw intensity 21506 18930 26805 20373 20382 20349 1 1 18338 42814 28665 14337 28920 30334 29795 1 1 1 1 1 1 1 19942 91542 1 1 1 16798 21058 18610 1 1 1 1 1 1 8062 8411 7786 7295 1 9798 1 1 1 1 1 1 1 1 1 1 1 1 26525 26964 27943 1 1 19171 1 1 1 *326.1898*@1.9033844 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57202 1 88823 86563 90646 1 1 1 66415 74026 71927 102928 110125 104312 92159 87520 91442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C7 H6 Cl2 raw intensity 138277 133400 138401 150337 153601 149062 130008 132517 129839 116133 116244 118319 140549 138873 141503 85429 93201 98682 208842 217879 220514 217455 222376 223716 205499 211379 227453 246380 248081 248787 241640 241227 247011 74873 44282 73767 131975 133096 129706 123024 125830 124187 109736 109105 111671 92002 86540 90942 117273 115756 115573 134506 130778 133540 123946 125096 123404 115234 116932 113504 77930 103613 110248 *298.1598*@1.9076521 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28886 31748 25958 30052 30048 1 1 1 1 24628 33578 21246 53034 57285 42276 30271 26433 28283 23936 1 1 1 1 1 1 1 1 1 33906 30259 1 1 1 31074 16921 1 1 1 1 1 1 1 1 24675 1 83296 88383 82735 *256.2384*@1.9011903 raw intensity 20334 17755 12383 11790 15523 17591 13607 15629 16430 13936 12101 13087 7073 13748 14927 17653 17592 13953 23612 23175 24031 10993 20389 12137 13168 13521 13185 28217 31130 30579 17648 18056 20514 16627 13461 14935 19507 21510 18975 22527 18828 16624 17123 16519 16622 14623 15834 14395 14856 15178 15042 16700 17997 14241 18075 23624 24738 17212 19747 15509 21951 25501 22453 *163.9795*@1.9031316 raw intensity 9289 1 11390 11217 10695 1 1 7973 10891 1 1 1 1 10601 10511 7296 8839 1 16281 17415 17186 17326 1 14808 18275 19858 16344 17966 19532 19232 18188 19148 19647 1 1 1 10842 10291 9179 1 1 10255 8640 9802 1 1 7580 1 1 1 1 10092 10085 9602 1 1 1 9933 9858 11145 1 1 8171 *203.9736*@1.8950641 raw intensity 193616 191515 205245 211194 221831 203647 196808 190720 213475 166635 179569 168107 205109 210473 207497 1 130137 1 1 1 175204 324068 329419 351309 177604 11862 193794 393575 393461 399019 207426 384871 1 1 1 1 174521 196437 204919 180382 187657 182728 1 17832 18518 1 1 1 183930 182016 169215 208078 217146 221877 183043 176662 178709 1 1 1 120248 1 157034 *340.2057*@1.9044616 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42049 34245 36498 1 1 1 1 32803 28101 43366 43371 40953 38650 42102 37997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28076 1 80309 1 1 1 1 1 1 *312.1739*@1.9038999 raw intensity 1 1 1 1 1 1 1 1 84545 1 1 1 1 1 1 68732 1 75114 67044 68480 65948 1 1 1 88814 68142 64489 83253 79371 87244 80522 79001 81778 1 1 1 1 1 1 1 1 1 47957 48620 47458 1 1 1 1 1 1 1 1 1 1 1 77304 1 1 1 1 1 75880 C25 H36 N6 O S5 raw intensity 23660 30461 29543 21324 16551 14072 12721 22026 11707 17019 9725 18073 36301 33774 35373 1 1 1 1 5330 1 19756 1 18871 5700 1 1 8911 1 16152 1 1 4247 5575 1 5476 8205 4493 6353 6847 5446 5704 1 1 1 5712 1 5712 1 5614 1 8296 1 1 29487 20125 1 3936 1 5446 1 1 1 *534.1272*@1.905 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *436.4423*@1.9023334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7954 1 12198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4889 1 *608.1629*@1.8994 raw intensity 1 9941 1 1 1 10997 1 1 1 1 1 11391 1 9978 7117 1 1 1 1 1 1 1 1 1 1 1 1 8201 1 7583 1 1 1 1 1 1 1 1 6267 1 1 1 1 1 1 1 1 1 1 1 1 13606 1 10166 1 1 1 1 1 1 1 1 1 *266.1523*@1.9065529 raw intensity 13976 1 19086 1 1 1 1 1 1 1 1 1 1 1 16874 13318 17296 14511 21574 23596 25287 31386 1 30086 1 1 18673 23815 22894 24578 22902 29623 21424 15338 18058 14783 1 1 14902 18427 15300 16700 12050 11489 11821 13637 1 14176 23671 17286 1 17643 20086 21440 1 17911 1 15648 16599 1 1 1 1 *250.0688*@1.903 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15265 1 44719 69907 1 1 1 1 1 95390 62085 86318 1 1 13659 38889 1 59614 1 1 1 1 1 1 1 1 1 1 19040 22129 1 1 1 13253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *192.0805*@1.877638 raw intensity 3609320 3511773 3595242 4679390 4655837 4706809 4027391 4016397 4003965 3303608 3210647 3114243 4606299 1 4621299 418064 1184736 870426 568219 631651 583568 1 7945354 8264136 1498521 974432 1752639 2680620 2715863 2032122 648894 1443929 635881 994855 1036352 1 1193363 1 1200786 845984 533815 1148409 867550 859675 561014 1312002 1185061 476705 1361551 1383359 1397382 1002150 991302 999734 2334027 2321127 2337436 1 817540 1206039 324687 411848 454430 *395.0928*@1.8944443 raw intensity 1 65394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27998 27485 1 1 24897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22087 1 1 1 1 1 1 62833 59078 61916 1 1 1 4945 1 1 *290.107*@1.9066666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124882 126414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H10 S raw intensity 1 5675 9706 16452 20852 22893 25038 27832 13790 27927 28801 29691 15018 7347 16360 42645 45516 49392 74490 72253 75214 44477 47484 29988 80247 75157 82311 50279 46971 49750 91226 105030 98620 33801 29341 29133 26149 30794 1 33985 29671 35000 40522 37629 38663 48284 41363 47651 21858 20321 22251 17040 18260 18501 1 1 1 49942 54163 48474 16406 21697 22920 *295.1832*@1.909 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *340.0621*@1.9811667 raw intensity 1 22513 10285 1 1 1 1 1 1 1 8769 1 13186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20935 1 1 1 1 1 1 1 9157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *240.029*@1.9379092 raw intensity 1 1 14580 1 17637 1 1 1 1 10422 1 1 13256 1 12223 20418 1 23213 25064 22434 15501 1 30100 14919 1 1 1 32376 32341 30390 1 1 21260 11602 19851 13545 1 13197 15894 1 1 1 1 1 1 1 1 15691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *161.0542*@1.9112222 raw intensity 1 1 1 1 10032 15880 1 1 1 9730 1 14581 6152 1 1 14285 1 1 1 42649 44525 1 1 15831 36627 1 1 1 1 27304 1 52891 1 1 1 1 1 1 1 1 1 1 1 1 1 21557 28030 1 1 6491 9340 20362 1 1 1 1 1 1 23998 1 1 1 1 *422.0895*@1.9642 raw intensity 12369 10851 1 14323 20186 21329 1 1 16181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23457 21211 19827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5397 1 1 1 1 1 *432.0953*@1.8264999 raw intensity 1 1 1 1 1 1 8702 11710 13165 1 1 1 1 1 1 11896 12783 14346 1 1 1 1 1 1 1 1 1 1 1 11105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *496.121*@1.9178464 raw intensity 72004 98680 76016 86577 80678 68980 61900 60576 49166 50288 66427 58440 117347 85387 1 1 1 1 1 1 1 81777 96865 93175 1 1 1 28036 1 33248 1 1 23744 1 1 1 1 1 1 1 9675 1 1 1 1 1 1 1 37645 1 1 25873 25460 1 53582 71504 1 1 1 1 1 1 1 *466.116*@1.916 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *288.1455*@1.8615 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11484 1 1 1 1 6289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *408.157*@1.9350001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362134 1 1 1 1 1 1 1 1 1 11479 1 1 1 1 1 1 1 1 7246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *548.1572*@1.93 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *280.0911*@1.9324999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81782 1 1 1 1 1 1 53167 14996 76074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18284 1 17388 1 1 1 1 1 1 Hydantoin-5-propionic acid raw intensity 55182 25757 27496 1 1 15782 52394 51940 55897 11356 40457 1 15347 1 1 163294 107127 72283 29639 1 47354 1 1 1 1 1 42374 42220 42814 228146 34565 24763 1 32691 34488 32502 99960 130498 133264 16938 92029 19311 93199 91664 146117 1 57601 14267 19974 24909 17968 37527 1 39498 109568 116202 112564 16956 60735 25613 54689 62771 88763 *254.0647*@1.931 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1056.8986*@1.9414787 raw intensity 31298 29513 22058 1 19824 1 16693 17888 17404 1 1 1 18587 1 1 26612 40582 27318 25259 23094 18315 1 1 1 17408 17691 1 19256 18906 18421 19194 16435 1 33305 35359 34805 27023 42822 1 29632 29736 34970 52354 63143 31699 31567 30010 26186 30348 37079 1 40699 1 55870 21498 47144 39636 34756 25413 35481 86112 70641 65312 *364.2333*@1.9317143 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5469 5916 5222 1 1 1 1 1 1 1 3715 3005 6565 9047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *517.1787*@1.9813889 raw intensity 1 1 7538 21195 20457 20284 26497 1 26831 18876 20006 20683 9915 1 10176 1 1 1 1 1 1 23022 1 1 1 1 1 14487 27456 5021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23419 21099 19985 1 1 1 1 1 1 1 1 1 1 1 1 *584.226*@1.8928 raw intensity 1909040 1 1943514 2622753 1 1 2263986 1 1 1 1 1 1 1 1 320843 1 399129 1 552098 1 4569190 1 4763684 1 1 1 452036 1 472803 1 1 1 1 1 1 1 1 1 482384 1 1 1 1 1 1 1 1 672152 1 1 489144 1 1 1 1 1 429115 1 1 1 1 1 *86.0722*@1.974 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31380 1 1 1 1 1 1 1 1 1 1 1 1 12067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24305 1 1 C30 H21 Cl N8 raw intensity 78957 76417 71182 1 100020 104667 97797 95505 98585 80635 80255 67558 100082 97252 106000 1 1 1 27848 1 34387 102420 108817 106589 1 1 1 1 32139 33272 1 1 1 1 1 1 20255 1 1 1 1 1 1 1 1 1 1 1 24310 23870 35313 1 1 1 42393 43608 44122 8221 1 1 1 1 1 *428.1269*@1.9199412 raw intensity 115503 124412 95628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39185 37750 37302 27418 1 9662 1 18810 15310 24043 1 11112 1 1 18999 1 1 1 12268 8065 1 1 1 38739 1 19499 1 1 1 1 1 1 1 1 1 1 *375.2411*@1.954 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *357.125*@1.9795713 raw intensity 33295 1 1 1 1 1 1 1 1 1 74755 1 1 1 1 1 1 1 1 1 1 124243 123344 124341 1 1 1 1 1 104316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41251 1 1 1 1 1 1 1 1 1 1 1 *317.1138*@1.9668149 raw intensity 37270 46053 43681 125007 120514 120101 140398 138272 137688 94667 101292 85701 54599 64115 64060 1 1 1 1 1 1 175468 179331 177958 1 1 1 90949 106060 122213 39224 1 1 1 1 1 76383 39924 72589 1 61799 60468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *506.1699*@1.9556667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16599 15263 1 1 1 1 1 1 1 18987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *404.1456*@1.905346 raw intensity 1 1 1 1 1 10341 1 65198 1 17928 1 1 1 1 1 9462 1 11444 1 1 1 1 1 1 1 21589 19957 27405 15839 31979 1 1 1 74154 58274 61801 55776 16147 40148 49008 28592 47518 1 1 1 10710 1 1 24670 13908 24531 1 1 1 1 1 1 1 1 1 27696 19753 22371 *632.1984*@1.9239999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9927 1 1 18999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12979 1 1 1 1 1 *483.1562*@1.9790001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9639 1 1 1 1 1 1 8083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *418.1466*@1.9759642 raw intensity 46313 45570 41337 100484 91314 108284 126918 124592 126476 90278 84032 117158 75108 54904 52731 1 1 1 1 1 1 177443 190997 186385 1 1 1 141297 155829 139244 1 1 1 1 1 1 67709 58214 48193 1 1 1 1 1 1 1 1 1 50182 1 1 68913 80975 92886 1 1 1 1 1 1 1 1 1 *628.1926*@1.9532 raw intensity 1 1 1 1 27270 31572 1 1 40270 1 21129 1 1 1 1 1 1 1 1 17820 1 1 1 1 1 1 1 8444 1 15740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10004 1 1 1 1 1 15332 15110 1 1 1 1 1 1 1 *405.1382*@1.9605 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24859 1 21764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *378.1058*@1.9731668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9893 12658 1 1 1 1 1 1 1 14533 19265 1 1 1 1 1 1 1 1 7008 1 1 1 1 1 1 7622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *343.1105*@1.9570647 raw intensity 1 1 1 17614 17283 16463 1 18500 21449 18548 21061 24900 1 1 1 62607 55154 56253 34707 1 1 32116 31245 37573 1 1 1 47139 43586 60930 48598 1 1 22435 29202 1 19129 42003 1 31259 1 27927 1 1 1 18585 1 1 16807 1 23075 1 1 1 1 1 1 1 1 24432 1 49846 54888 *318.1172*@1.9225836 raw intensity 1 1 1 268217 170715 268461 310884 293448 279557 1 1 1 1 1 1 1 1 1 152478 334128 191349 83481 298079 324703 1 1 1 215879 327155 251665 303197 1 312633 1 1 1 1 167876 1 84554 68834 1 63061 1 50008 34156 1 1 1 1 1 1 1 122943 1 1 1 1 1 1 1 1 1 *627.1947*@1.9738334 raw intensity 1 1 13354 1 1 1 21552 1 23601 1 7424 1 1 18468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *544.1731*@1.974591 raw intensity 1 1 1 6986 6452 6513 10359 9128 8788 9777 8913 7313 1 1 1 1 1 1 1 1 1 9283 8841 8793 1 1 1 18835 21114 20118 1 1 1 20505 1 14177 1 1 16756 16165 15262 15517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11176 1 1 *531.1638*@1.925357 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22745 23087 21616 1 1 1 1 1 1 1 1 29827 1 32539 1 21394 1 1 1 1 18051 11713 19084 12849 1 1 1 14261 1 1 1 1 1 1 17724 1 1 1 1 16488 16675 1 1 1 1 *321.0872*@1.965 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *416.1502*@1.9782499 raw intensity 1 1 1 1 30042 1 56959 48109 1 1 35368 34659 1 1 1 1 1 1 1 1 1 1 63167 65322 1 1 1 31479 41551 52804 1 1 1 1 1 1 1 1 1 1 29942 1 1 1 1 1 1 1 1 1 1 1 1 34803 1 1 1 1 1 1 1 1 1 *606.2045*@1.9569999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6554 5325 1 1 1 1 1 1 1 1 1 1 1 1 1 *558.1769*@1.9549999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15996 1 16465 1 1 1 1 5880 1 1 15205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24990 1 1 *335.1136*@1.924625 raw intensity 1 8296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7065 1 1 1 1 1 1 1 1 1 1 1 1 18459 1 1 1 9742 1 1 9086 1 1 1 13733 1 1 1 9795 1 3486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *300.101*@1.9844999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13082 1 1 1 1 1 22816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *500.1459*@1.9303635 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17266 1 1 1 1 1 1 1 1 1 1 26766 1 16438 1 1 1 14522 1 1 1 1 1 1 1 1 17068 28642 34310 11007 1 5540 1 1 1 1 1 1 1 14883 1 1 1 11478 1 1 1 *316.1155*@1.9807895 raw intensity 1 1 1 40972 39290 43728 55595 47547 83057 41535 41088 43333 21214 22268 25990 1 1 1 1 1 1 71860 70330 1 1 1 1 1 76381 72678 1 1 1 1 1 1 1 1 1 16297 38993 1 1 1 1 1 1 1 1 1 31057 1 1 1 1 1 1 1 1 1 1 1 1 *557.1738*@1.9523333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7595 1 1 1 1 16419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12155 *442.1456*@1.9659998 raw intensity 1 1 1 1 14522 12296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23072 25693 26415 1 1 1 19850 1 15606 1 1 1 1 1 1 1 1 1 14352 6643 1 1 1 1 16063 1 1 1 1 17625 15970 17280 10790 1 1 1 1 1 1 13673 13375 14787 *519.1577*@1.969 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H24 N2 O12 raw intensity 171577 164902 168256 31376 1 1 20733 15048 1 158844 160003 153591 23925 28762 22403 1 1 1 1 1 1 36966 1 40463 1 1 1 108701 117517 104673 1 1 1 1 1 1 85009 78168 76882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189958 191667 117991 1 1 1 1 1 1 *459.1454*@1.9558 raw intensity 1 1 1 1 1 1 1 1 1 1 16517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7065 1 1 1 1 12663 10109 10349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *363.137*@1.9739375 raw intensity 60149 60692 60140 1 13811 14591 1 1 1 57515 58994 55814 1 1 1 1 1 1 1 1 1 20481 19746 20150 1 1 1 1 42667 41638 1 1 1 1 1 1 28287 30869 29808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *263.1026*@1.9743001 raw intensity 1 1 1 1 1 1 1 1 1 61567 52407 61193 1 13100 1 1 1 1 1 1 1 28470 1 25827 1 1 1 45750 52952 72475 1 1 1 1 1 1 1 33398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *271.0741*@1.97 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *472.1445*@1.9410555 raw intensity 1 7619 1 1 1 1 1 1 1 15968 1 1 1 1 1 1 1 1 51730 1 9623 1 1 11660 1 1 1 22664 48279 25747 68643 1 1 1 1 1 37218 1 29463 1 1 1 61538 1 57570 1 17101 19494 1 1 1 1 1 1 1 1 1 20034 59699 19605 1 1 1 *542.1796*@1.9335556 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9906 1 1 1 1 1 18042 11328 7691 12598 1 1 1 1 1 1 1 7982 1 7808 1 1 1 13424 1 1 1 1 1 1 1 1 1 1 1 1 1 11355 1 1 1 *571.1809*@1.9566666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13264 1 11032 1 1 1 1 12660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C7 H16 N6 O3 S raw intensity 250536 1 243454 45841 45674 1 1 1 1 225644 234486 235874 37489 39497 36783 1 1 1 60914 63908 63340 65488 65045 67745 1 1 1 167823 170429 174251 1 1 1 1 1 1 115327 120999 114572 1 1 1 1 1 1 43258 45646 45760 1 1 1 19282 1 1 306721 304593 1 1 1 1 16652 21297 1 *490.1647*@1.9737273 raw intensity 1 14959 1 1 1 1 1 1 1 18280 24127 23081 1 1 1 1 1 1 1 1 1 1 6971 1 1 1 1 50531 46362 47210 1 1 1 1 1 1 27585 19094 24553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *532.1638*@1.9258 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13646 1 31829 33837 1 22055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27214 1 1 1 *590.1993*@1.9654999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 5302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17396 1 8572 1 1 1 1 1 1 7818 15178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7698 1 1 1 1 1 1 1 1 1 *372.1124*@1.9673333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8717 33503 1 1 1 1 1 1 52692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *390.1369*@1.9182222 raw intensity 1 1 1 19139 9792 1 13165 1 1 20909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73378 51591 70151 1 1 1 1 1 22058 33443 28796 37463 1 1 16253 1 10158 1 11054 1 1 1 1 1 1 31061 35931 1 1 1 6906 1 1 1 5119 1 Sedoheptulose raw intensity 23774 25328 23007 1 1 1 1 1 1 28005 29838 28186 1 1 1 1 1 1 28961 28711 28641 5260 4764 1 1 1 1 25678 26420 30596 1 1 1 1 1 1 32560 33624 31868 1 1 1 1 1 1 20794 22069 22008 1 1 1 1 1 1 1 25567 27835 7010 1 1 1 1 1 *342.1173*@1.9664999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40925 26373 17104 1 1 1 26121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8693 1 19838 1 1 1 1 1 1 1 1 1 1 1 1 *499.1483*@1.933 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18313 17439 1 1 1 1 1 1 1 1 1 1 1 7757 1 1 1 8249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11215 1 1 1 *331.1071*@1.949077 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62800 1 1 1 1 1 1 1 1 1 46586 35623 40701 1 1 1 39277 1 24228 28086 1 23396 28615 1 46522 1 1 1 1 1 1 28691 20501 32895 1 1 1 1 1 1 1 1 1 1 1 1 C17 H36 N2 O S5 raw intensity 1 1 5679 22090 23273 22520 1 26982 29319 26201 24932 24801 8101 9168 10749 1 1 1 55337 1 54643 32845 32058 37425 1 8047 1 38202 58218 47563 1 1 21473 1 35602 34850 27600 25293 18268 45791 31401 32109 5021 1 1 6456 15143 17883 32792 25810 1 1 22556 1 1 1 1 8355 1 1 1 34191 40981 *389.134*@1.9507501 raw intensity 1 6633 1 1 1 1 1 1 1 16608 17304 16586 1 1 1 1 1 1 1 1 1 1 1 7965 8712 1 1 24295 23748 23373 1 1 1 16665 1 20229 18728 19059 18243 1 1 1 1 1 1 1 1 1 1 1 1 18079 1 9853 1 1 1 1 1 1 1 1 1 *276.0943*@1.9637144 raw intensity 1 1 13282 1 1 1 11785 10805 1 27527 24416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30203 29981 25999 1 1 1 1 1 1 24434 31569 23019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13332 6399 1 1 1 1 1 1 29649 1 *332.1123*@1.9580002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44788 46897 49675 1 1 1 31009 32678 1 47345 36753 38434 1 33696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *489.166*@1.9765 raw intensity 1 1 4946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *415.1439*@1.9598128 raw intensity 1 1 1 1 1 1 1 1 1 13050 13065 12510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20514 25544 23783 1 1 1 17029 15768 20143 1 1 15701 12276 12532 11285 1 1 1 1 1 1 1 1 1 11876 15369 6975 1 1 1 1 1 1 1 1 1 *324.1176*@1.974 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *574.174*@1.926 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13761 24836 1 1 1 1 1 1 1 1 30606 1 1 9231 1 1 1 16913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *231.082*@1.9636002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43408 1 46326 1 1 1 1 1 1 41352 1 42397 1 1 1 1 1 1 1 1 1 39270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *515.1739*@1.9551429 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15389 1 1 1 9237 9576 6973 1 9093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14372 1 1 1 1 1 1 1 10212 1 1 *570.1915*@1.96 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14096 1 8715 1 1 1 1 14291 1 1 1 1 1 1 1 1 1 1 1 1 1 5554 1 1 1 1 1 1 1 1 1 1 1 3489 1 1 *600.1706*@1.9169998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23156 1 13761 1 1 9271 1 1 1 42325 41880 1 1 1 5296 1 1 1 1 1 1 1 1 1 1 1 1 9265 23202 12138 1 1 9176 1 1 1 1 1 1 1 1 1 1 1 9595 1 1 1 *208.0682*@1.9778 raw intensity 1 1 5290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23449 1 1 1 1 1 1 1 10776 11435 1 1 1 1 1 1 1 1 7871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *956.9782*@1.9444003 raw intensity 861664 788326 601621 388214 391814 392651 540172 529411 518336 265980 330669 289478 333002 339639 339323 752631 474205 1 381352 1 382724 193684 1158264 169425 755956 1103996 1309656 1189316 1002830 1354428 1331855 1263054 1298389 585601 439522 432383 777251 801471 722425 744844 832323 805948 1007588 945266 849135 747140 496283 1 620556 623374 751956 770956 719374 896294 1184540 1177766 1195283 897199 819566 642251 899215 1191707 1209284 *337.2567*@1.9851665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4090 1 6016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4275 1 5086 1 1 1 1 4344 4927 *272.0779*@2.0181565 raw intensity 1 1 9960 1 1 1 1 1 10257 1 7655 1 1 1 5159 9780 15454 15218 16842 17435 1 1 1 5979 1 1 1 1 19798 22041 16932 18099 25162 8333 9833 8545 1 1 12470 10645 10227 11208 18289 1 11395 9192 10406 1 6740 1 4971 1 1 1 19012 19815 18311 1 10956 1 1 1 1 *1056.8962*@2.0115 raw intensity 1 1 11768 1 1 12482 1 12864 1 1 5770 12097 11437 12262 12757 1 1 1 12999 1 1 10573 9786 12089 15297 7480 14800 13554 1 14145 11276 1 10470 1 1 12876 1 1 1 14417 15071 1 1 1 15634 1 13438 13188 1 1 1 1 1 1 1 1 1 15365 1 1 1 1 1 *282.1549*@2.056 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *522.1193*@2.1273334 raw intensity 1 1 1 1 1 1 1 1 1 1 6327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4617 1 1 1 1 1 1 1 5250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *146.0367*@2.0623333 raw intensity 1 2825 1 1 1 1 1 1 1 1 1 1 15466 64920 1 1 1 1 1 1 1 1 1 1 5246 1 1 1 1 16538 1 1 11915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Uridine raw intensity 53770 48434 53059 51921 51179 57655 51583 53582 53204 53123 48889 56200 36320 33021 34489 44401 43587 48493 68780 64825 70202 58074 66986 58946 1 1 1 56886 55288 59420 55982 52454 1 42246 45523 47316 51930 56387 55537 43512 39287 45276 1 1 1 63473 58833 58669 53126 47217 57750 1 1 1 63325 64627 53669 51267 53971 52581 1 1 1 *509.1258*@2.109 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *462.1538*@2.111 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *440.1007*@2.188 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3035 3090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9580 1 1 1 1 *437.1159*@2.117 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *507.1283*@2.1256666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17275 14488 14593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *318.113*@2.0408998 raw intensity 54419 43721 1 1 1 1 1 1 1 1 1 8338 112385 108148 106377 1 1 1 175412 1 1 141540 10362 1 1 1 1 1 1 87680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *285.2281*@2.1426888 raw intensity 6837 6657 6646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24982 23876 24213 11545 13657 11824 15512 17871 17739 37734 37618 37491 9609 9724 12473 5382 5596 1 18634 17824 19130 15601 12487 15087 17565 19589 16166 23906 25747 24400 14441 16347 1 15176 16477 15981 18883 14197 1 13470 10968 12718 12534 13382 16341 *522.1186*@2.0641072 raw intensity 8207 1 7222 13102 13506 13149 12562 15670 12853 10258 7708 1 7586 10066 9456 1 1 1 1 1 1 19921 19242 16805 1 1 1 12213 14844 8805 1 1 1 12232 1 12371 9965 1 9766 9864 1 1 1 1 1 1 1 1 9582 10844 7868 1 1 11991 1 1 1 1 1 1 1 1 1 *538.1558*@2.1461666 raw intensity 1 2236 1 1 2405 1 1 1 1 1 1 1 1 1 1 1 6302 1 1 8697 7781 1 1 1 1 1 1 11954 12194 10146 9062 1 1 1 1 1 1 6750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5780 5860 1 1 1 C11 H22 O5 S raw intensity 64651 70735 70305 69334 69370 66701 63888 62933 63502 42904 48103 45915 67644 66963 62692 1 1 1 1 1 1 77720 82788 92585 1 1 1 19467 21508 20209 1 1 1 1 1 8664 18123 17139 20826 1 1 1 1 1 1 1 1 1 22686 26338 23897 1 22587 25409 67109 69741 70120 1 1 1 1 1 1 *184.0597*@2.1525004 raw intensity 1 1 6489 1 1 1 1 1 1 1 3861 1 8275 1 4773 1 7339 1 1 1 1 1 1 1 1 1 1 23881 24405 24334 27218 27943 28786 21067 23290 21282 1 1 1 5964 5710 1 1 1 1 1 7148 1 1 1 1 1 1 1 1 1 1 10687 10464 10953 13913 1 14393 *432.0722*@2.1278334 raw intensity 1 1 1 1 1 18977 1 18009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8774 1 1 1 1 1 1 1 10552 1 1 1 1 1 1 1 1 1 1 1 5885 1 12984 1 1 1 1 1 1 1 1 1 1 1 *596.1556*@2.1694999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8206 1 1 1 1 1 1 1 1 1 1 1 *449.2675*@2.1634517 raw intensity 1 1 1 13974 1 12675 6731 1 1 1 1 1 1 6485 4186 1 1 1 6255 12134 7621 10569 1 9517 10522 16192 10822 14270 14935 13896 1 28483 26365 6196 7064 1 21984 24446 22752 1 1 1 1 1 1 1 1 1 1 1 1 12757 11896 13306 18340 1 17811 9272 9738 9617 1 1 1 *332.0327*@2.229 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4470 1 1 1 1 4890 5451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C16 H26 O3 S2 raw intensity 52473 53006 51248 1 1 1 1 1 1 19290 16757 23128 49222 45996 47978 45298 1 1 67511 99652 73254 1 13287 1 1 1 1 88783 84976 86050 1 1 1 1 1 1 68511 61937 61734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40847 40721 39181 1 1 1 1 1 1 *422.0868*@2.171857 raw intensity 1 1 1 1 1 1 1 1 1 1 14292 12289 1 1 1 1 9535 5693 5948 1 11547 16546 1 1 5063 1 6114 1 1 7010 6254 12131 1 17500 18452 18520 15609 16381 15488 17739 1 16481 1 1 1 11762 10614 11243 12190 1 1 12640 10123 1 1 1 1 8025 17634 1 1 1 1 *440.0991*@2.1711428 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4215 12290 5215 1 1 1 8597 1 1 1 1 11303 1 7844 1 1 1 1 1 1 1 1 1 7323 1 1 1 1 1 1 1 1 1 1 1 1 *258.1259*@2.18 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8935 1 1 1 1 1 1 1 1 1 1 1 1 1 *956.9786*@2.1773334 raw intensity 1 1 266467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120469 120391 113692 1 1 161406 1 1 1 55726 79013 59753 1 1 1 156397 53761 1 1 1 95230 1 1 1 1 163308 1 1 1 117537 1 1 1 1 1 1 1 1 1 79240 1 98717 228541 219493 256906 *496.1222*@2.1858 raw intensity 1 1 1 1 1 1 1 1 1 1 5302 4213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13770 13412 1 1 1 1 1 1 1 1 1 *340.0618*@2.1968124 raw intensity 6936 1 14288 1 4183 1 1 1 7064 1 1 24861 6840 5838 1 1 1 21832 23809 11913 22468 1 14633 7312 1 1 14180 1 17764 14362 1 17723 1 9977 26295 31496 1 26510 26126 30883 27326 28357 1 1 1 22197 24621 1 27579 1 14220 18214 1 1 1 1 1 9821 4443 1 1 1 1 *432.0657*@2.2229998 raw intensity 1 1 1 1 1 1 12740 1 11839 1 15186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18351 1 13868 1 1 1 8757 8859 1 6765 1 7004 9948 1 10867 1 1 1 1 1 1 1 11871 1 1 1 14251 1 1 1 1 1 1 1 1 1 Isovaleric acid - 2.2218697 raw intensity 16311 13852 15149 1 1 1 1 15633 13409 1 1 7334 1 1 1 1 11706 1 26266 27451 26375 1 1 1 1 1 1 17696 18622 20998 21961 21561 19899 22091 20993 23605 29980 30842 31186 22545 21633 24157 30419 30604 30732 24241 23759 23863 16952 17314 14760 24667 19706 21823 14803 13150 13525 18537 18277 16369 14039 16969 15875 *1051.0619*@2.2203162 raw intensity 57245 58154 55154 34499 42958 40940 64940 60552 66618 30599 37076 35018 1 1 1 39249 42323 42837 106797 107518 113474 59562 62211 54698 9002 12797 9024 91140 88965 95995 85537 88532 86878 64584 68767 69954 100344 98632 98444 76380 73447 77468 98258 103427 114018 80947 80391 80607 57254 56196 56557 100767 94775 97091 53786 55302 53830 62401 65303 67130 66469 86065 88729 *260.3215*@2.2233572 raw intensity 1 1 1 1 1 1 9919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14162 1 14320 1 1 14329 1 1 16747 27573 1 1 1 15917 1 1 30700 1 18171 1 1 1 1 1 19750 18949 19082 1 1 1 1 1 1 1 14848 13764 *260.4086*@2.2245 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4822 1 1 1 1 1 1 1 1 1 1 2585 3264 1 2888 3010 1 3074 1 1 1 3412 1 1 6427 1 1 1 1 1 1 1 1 4119 1 1 1 1 1 1 1 1 1 3257 1 *130.063*@2.2206433 raw intensity 659684 633977 659541 461422 462244 455541 742679 716853 740545 351325 365031 348347 54452 52535 59203 581675 573247 579400 1 1 1202216 372046 385495 390590 109581 118194 122340 891549 890067 894713 893524 892353 892024 934329 973515 978677 1404833 1370787 1355498 1 984168 1039227 1482080 1435595 1493872 1038251 1032797 1041610 717190 694014 683711 1115914 1078992 1094315 1 565549 556881 744248 768836 756643 734939 880622 859385 *187.0452*@2.227 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *218.096*@2.2377224 raw intensity 1 1 1 1 1 119723 216106 210280 211954 1 1 1 1 1 1 134547 147558 150172 135944 135636 139501 1 1 1 1 1 1 236564 236022 238702 231585 104653 316587 1 235998 1 210913 172638 161758 180662 136284 131494 1 1 1 139147 142599 92016 619539 640891 597487 178664 152968 170676 1 125323 1 92286 47678 110446 1 1 1 *332.0299*@2.2242353 raw intensity 43838 1 1 1 22187 25648 25696 26364 26335 1 24842 1 1 16687 17070 1 1 1 1 1 1 1 22243 1 1 1 1 1 27585 18554 1 1 1 1 1 1 1 12322 16506 1 1 1 1 1 1 1 1 1 1 1 19912 22326 1 27476 1 1 1 1 1 1 1 1 1 *244.1106*@2.265733 raw intensity 1 1 1 1 1 18558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7363 1 1 21812 16708 19784 1 1 1 17748 16684 24129 12371 1 19443 1 1 11654 1 1 1 10819 1 1 64743 49860 24410 1 1 1 1 1 1 1 1 1 1 1 1 Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) raw intensity 7776 8431 1 1 6368 5592 1 1 1 1 1 1 1 6275 5791 7556 6380 5945 17978 18906 18195 13146 12555 1 1 1 1 8177 1 7993 24878 25349 23883 1 1 1 10694 8254 9414 10708 1 12058 1 1 1 21457 21642 22291 33847 32512 31903 1 1 1 1 4414 1 5059 4864 5352 1 1 1 *959.9783*@2.3253334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23987 1 8899 1 1 9549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1053.0219*@2.3047142 raw intensity 1 1 1 1 1 1 1 6000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5211 1 5673 1 4445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4604 1 1 3525 1 1 1 1 5793 *1674.0427*@2.328875 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19331 1 1 1 1 1 1 1 1 1 1 1 1 5570 11993 7913 1 5859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26633 1 1 1 1 1 1 1 1 10042 1 1 5240 1 1 *324.1576*@2.3334544 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7276 7264 6873 1 1 1 1 1 1 4282 1 3554 1 1 1 8570 9659 8086 1 1 1 1 1 1 8734 9453 8307 1 1 1 1 1 1 1 1 1 *956.979*@2.3301961 raw intensity 416294 446031 476475 582193 511838 623136 544867 509431 1 902010 822140 878695 693186 760536 673023 884568 906772 1 564848 604727 599515 258054 260177 1 331026 1 1 380056 1 503382 503040 495279 335501 701048 773497 829475 600185 711569 716579 1016244 1026355 1047455 1005896 806618 915569 961388 814506 1 765134 788592 869091 802988 693152 798617 404242 406009 417397 912070 701837 898612 981313 865530 751738 *513.2594*@2.3485 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5353 1 1 1 1 1 1 1 1 1 1 6004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *90.977*@2.3574374 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4481 1 1 3788 1 1 1 1 1 1 1 1 1 1 1 6049 1 5002 1 1 3458 2907 1 1 4062 1 1 3709 6425 1 1 4692 1 3594 1 1 1 1 5066 1 1 1 1 7080 1 4173 6664 5997 1 *1680.0121*@2.359 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1836.0435*@2.36 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1053.0247*@2.3439639 raw intensity 1 7093 1 1 7424 7279 1 1 1 9799 8521 11932 1 1 1 1 1 9204 1 1 1 1 8428 1 1 1 1 13129 1 7322 1 1 12557 8958 14728 6790 1 9976 7680 10100 10811 8415 8966 1 1 8052 1 12757 12189 6886 1 1 7224 12516 1 1 1 6402 1 1 1 6994 1 *511.2588*@2.3629208 raw intensity 418945 454238 427673 179721 167983 172443 371930 361242 368938 144890 126918 139392 393324 391270 380921 225339 242256 247922 142457 115831 105671 240680 245389 243072 159246 163003 165307 178906 128637 141266 156594 148721 143839 64648 56083 49224 145753 136333 130721 210929 228218 216868 372473 379810 376125 245473 234092 217893 185735 176859 155229 217669 223909 221052 417376 399628 380429 366577 354611 328552 218534 221570 216491 *837.6796*@2.3534546 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7523 1 1 1 1 1 1 17667 1 1 1 1 9182 1 1 11619 1 1 1 1 1 8829 1 1 1 1 9870 10161 1 10322 1 1 1 1 11595 11912 1 1 1 1 1 1 1 1 12770 1 *1892.0319*@2.3389413 raw intensity 4068 13731 1 1 15936 1 1 1 1 11241 1 25514 1 1 1 1 1 1 1 1 1 1 20262 1 6519 1 1 14580 8561 16558 1 1 1 1 1 20299 5737 1 21507 1 1 23730 1 16588 1 1 1 1 1 1 1 1 17785 1 1 1 1 20426 1 1 1 1 1 *1919.9569*@2.369 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *150.0081*@2.3706894 raw intensity 14520 13736 1 16849 16616 18397 14893 1 14584 23666 22842 23446 1 1 1 1 1 10381 13703 13102 1 1 1 1 1 12049 1 1 1 9596 17097 14870 16445 1 7848 1 1 13209 13513 17182 1 17524 1 8217 1 15544 16078 15077 1 13330 1 1 1 1 1 1 1 14056 1 1 1 1 1 2-Oxovaleric acid raw intensity 104019 1 92726 101780 107435 106925 159143 157715 170802 183444 177280 233298 1 1 1 53684 1 1 127402 126197 132868 50396 1 56082 1 1 1 1 128023 126883 91268 92344 1 72596 1 1 116150 115219 126361 1 88409 1 1 75408 64409 109438 121497 93309 78323 1 70979 85414 101540 97426 146017 152889 140972 1 67400 93789 108917 145042 103322 *240.0285*@2.373778 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7916 1 17147 1 1 1 1 1 1 1 1 1 12212 1 22153 1 21075 16036 1 1 1 1 1 1 1 1 1 1 16379 38547 15071 1 1 1 *314.0809*@2.409 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H23 Cl raw intensity 48366 46905 57450 56514 54651 59077 47463 48030 47034 24758 23661 24795 50762 49944 49776 23887 26648 21784 30880 29471 30167 125321 131687 139370 30264 33624 35236 45246 44569 46531 36644 42326 40189 25985 27818 29771 23352 23614 23734 25413 33336 22104 1 1 16949 26392 26953 25345 23851 23991 24198 27507 25534 27859 63025 66681 64248 19895 19758 19113 29161 33873 33310 *295.0567*@2.4110003 raw intensity 32505 1 1 1 1 1 1 1 1 22259 20475 1 33136 35205 31122 1 1 1 1 1 1 29706 1 28860 1 1 1 1 20323 20091 1 6843 1 1 1 1 1 1 20922 1 1 1 1 1 1 17150 1 1 19627 19726 18526 1 1 1 33391 1 32876 1 1 24156 1 1 1 C15 H20 N6 O S3 raw intensity 1 126535 50511 55853 53327 56495 103123 100143 43192 32251 73527 73542 128951 125883 58717 16340 1 15405 50994 51150 50972 44934 39726 80026 22530 10526 10213 55742 57114 51661 47514 48554 47530 26595 20520 19672 65565 61192 64671 49484 49442 38348 1 6630 4875 55553 56340 50647 56612 52862 54684 22227 25701 24086 48175 45470 103813 66593 60079 62826 1 1 1 C15 H17 N5 O6 S raw intensity 54119 58761 53649 59586 54831 60043 46341 46412 50642 35626 27366 36946 61052 58539 56050 1 1 1 23193 22780 25251 42293 40075 38884 13352 10511 11663 27525 25813 23917 22064 23255 22223 13558 10504 9962 31966 33215 29843 21262 23326 17393 1 1 1 27778 27347 26333 25360 1 26769 1 1 1 50781 48957 48168 31812 30791 27954 1 1 1 C20 H20 N10 O2 S2 raw intensity 34592 38814 56646 43118 65417 42904 37550 36106 37404 34121 30744 20599 63351 37124 55481 1 1 1 29354 23997 20908 28562 42624 38985 1 1 1 25782 16069 23378 28816 17535 1 1 1 1 33477 20209 33309 23150 28538 11407 1 1 1 20060 28858 1 21695 21584 10839 1 13502 1 49053 47988 29969 38378 32699 30629 1 1 1 C14 H16 O3 S2 raw intensity 116870 113641 108478 103912 97839 97615 93867 96050 93485 78231 71093 82756 108915 111841 110376 20329 20285 15428 53233 53245 50719 113335 102144 95138 20637 1 1 80355 86604 79120 51513 51105 50375 28250 26806 25006 69567 68028 70091 49447 51065 28127 1 1 1 53844 53177 55104 58389 61226 59395 1 1 1 111617 109419 106127 69248 64360 54235 1 1 1 C15 H34 Cl N5 O3 S4 raw intensity 34130 38969 34575 40850 40179 42355 35164 34134 36153 22450 18843 19952 37686 37755 36112 1 1 1 22829 17487 20851 27087 27250 27087 1 1 1 16762 16856 15174 17383 17787 17129 1 1 1 22997 21758 22155 16735 17800 1 1 1 1 19257 20904 18875 14392 11761 14287 1 11902 1 31640 29490 27924 19984 17995 17908 1 1 1 C21 H24 N16 S3 raw intensity 14781 21315 19130 23621 25309 24207 22056 23434 22452 12741 6841 11100 21742 21505 20850 1 1 1 13481 15623 1 14345 14313 15157 1 1 1 10569 7007 9675 1 13175 8934 1 1 1 12960 16807 17268 1 1 1 1 1 1 16212 9688 14055 1 6677 8597 1 1 1 15443 13473 13919 17613 11017 11094 1 1 1 C33 H29 N3 O4 S2 raw intensity 13171 15367 13205 17115 17535 1 1 15979 16074 8117 1 1 15864 15377 14624 1 1 1 11421 12605 1 11784 1 10916 1 1 1 1 6620 7210 1 10159 9298 1 1 1 10917 11141 1 1 1 1 1 1 1 11287 10636 9580 4982 5473 6480 1 1 1 1 9973 9753 11935 1 7835 1 1 1 *383.1698*@2.42225 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11395 1 13581 1 1 1 1 1 1 1 7252 7251 19242 18240 19482 1 1 13123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *331.1242*@2.42 raw intensity 1 1 14203 36366 37258 36356 44452 43180 40123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9855 1 1 1 1 1 1 1 1 14144 1 1 1 1 1 1 1 1 1 21465 1 8351 1 1 1 1 1 9435 1 1 1 1 1 1 *216.1639*@2.514857 raw intensity 1 1 1 1 1 1 126199 123298 122022 1 1 45153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17372 1 1 1 143006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58777 1 1 1 1 1 1 1 1 1 1 1 1 1 C27 H16 N4 O2 raw intensity 10745 13637 11178 1 1 14691 14614 15312 14166 1 1 9545 12117 12693 12936 1 1 1 15107 10185 13899 15575 14632 16620 1 1 1 1 9903 11317 9108 12088 9456 1 1 1 8386 1 9146 1 1 1 1 1 1 1 1 1 1 1 5519 1 10694 1 10006 7860 8213 1 1 1 1 1 1 *592.1584*@2.43225 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6446 1 1 1 1 1 1 1 1 1 6623 8085 1 1 1 1 9756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *423.1093*@2.4343333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5363 1 1 1 1 1 1 6700 7206 6553 7370 7239 1 1 1 1 1 5963 4983 1 1 1 1 1 1 1 1 1 1 1 6661 1 1 1 Aminopterin raw intensity 22333 15788 13579 11087 10762 10537 14093 14910 14930 29728 30646 28235 1 17765 19647 1 1 1 10851 13917 15138 45388 45492 42290 1 1 1 30684 1 36754 28227 19662 18412 1 1 1 1 6531 23965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26764 30916 22451 1 1 1 1 12947 1 *185.0583*@2.43125 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17272 18076 19049 1 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *940.267*@2.4254642 raw intensity 43530 41465 43944 48825 51188 49568 26358 27776 27034 47782 44295 48433 36941 38230 38016 24794 26615 25277 39200 38521 38898 37135 39181 39468 24092 23005 1 40526 41032 38130 1 40781 39741 11839 10760 11285 40312 39137 40811 1 28061 1 1 18557 17123 29690 29900 26748 33535 35181 37479 24539 25736 1 58172 58563 58507 29493 25186 1 24601 21806 23074 C26 H32 O11 S2 raw intensity 10231 8604 10367 1 10892 7875 5697 6653 5928 18146 14648 17759 11021 1 1 8859 7751 1 1 7781 1 1 6976 1 1 1 1 13234 10299 11435 11598 10882 12282 1 1 1 9729 11562 15908 13498 20367 18420 1 1 6633 14091 15176 15238 16958 15780 14521 9172 10167 9156 7817 1 1 16017 1 17732 1 1 1 *583.1409*@2.4315555 raw intensity 9424 1 1 1 6115 8439 1 1 1 1 1 1 1 8441 8004 1 6329 1 1 4888 1 1 4760 1 1 1 1 1 1 10768 1 1 1 6870 6955 7578 1 10368 9660 1 11882 1 1 1 1 10254 9297 11862 11063 9897 9344 1 8913 7200 4237 4948 1 1 13785 14048 1 1 1 *683.1712*@2.4342222 raw intensity 1 1 1 1 1 1 1 1 1 1 1 6843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5820 1 5658 1 1 1 1 7000 1 7847 1 1 1 1 1 1 10111 7111 1 5402 1 1 1 1 1 1 1 1 1 8535 1 1 1 1 *484.1044*@2.4338102 raw intensity 1 21836 24983 8399 10467 1 6974 7251 1 1 25508 24800 22012 20495 19842 19510 20878 18257 11732 7941 9766 9267 15299 12400 6606 5713 12279 18277 36950 20263 15914 14594 26442 27923 26590 32382 31377 35495 19273 50190 41842 45557 17733 14462 17541 29054 35987 37264 21154 36055 21955 11705 21792 21311 12659 15178 13914 41622 52795 24655 16525 1 12401 *136.0384*@2.4342897 raw intensity 167494 163415 166887 130192 132245 128350 168670 167619 176696 148789 148162 149070 91508 94301 94663 188324 189642 188304 1 505560 513101 89971 91990 95955 140545 148231 143527 401077 400059 396899 262050 266059 260882 159799 160705 156706 333871 329351 329326 180732 184752 177295 138459 141789 138161 243224 235429 238835 297146 289778 299968 221889 221810 228733 184680 185592 184982 193122 193290 189761 214232 239234 238382 C8 H24 N4 O6 raw intensity 15735 17293 15291 1 1 18849 17151 18292 1 7158 7008 1 1 14858 15600 1 1 1 8128 5602 10488 18886 18342 20997 11759 10109 9877 12313 10469 11158 9604 10692 7862 6411 1 4364 1 7504 7240 1 1 3171 1 1 1 6066 1 5678 1 7307 1 1 1 1 1 1 1 1 1 1 1 1 1 *448.2087*@2.4385 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4399 1 1 1 1 1 1 1 1 1 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *462.218*@2.436857 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3487 2906 3964 1 1 1 1 1 1 1 3697 2867 1 1 1 1 1 1 3699 4961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *492.1851*@2.443 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *420.0471*@2.491889 raw intensity 38228 39436 22319 1 1 23512 1 1 1 30369 1 1 33616 1 1 1 26490 1 1 1 1 1 1 1 1 1 1 1 30800 31899 1 1 1 1 1 1 1 1 23049 58432 42254 53676 1 1 1 24918 1 23985 1 1 1 1 1 1 24911 1 1 30198 1 26044 1 1 1 C22 H16 N4 O5 raw intensity 16494 68907 11673 1 1 46285 1 1 38132 94807 86549 1 102823 116649 24242 36220 1 1 1 1 1 18605 17149 58266 1 1 1 45385 1 59764 44240 33594 46126 1 62615 1 1 1 1 72281 71322 74339 1 1 27114 54756 1 1 1 66908 1 1 1 1 1 17910 9955 75205 73944 1 1 1 1 *379.1315*@2.4605997 raw intensity 1 1 85854 98047 1 102294 32829 9889 1 64234 1 124336 97786 1 94292 32413 22553 36263 19465 1 1 1 102577 1 1 1 16273 41394 47177 47642 1 72035 52551 40813 31381 45026 31010 65907 68243 47201 74729 84702 20528 1 1 1 59394 55000 1 65135 67457 25567 1 33698 1 20042 1 1 87025 1 1 9623 9975 *244.11*@2.4388573 raw intensity 1 1 1 1 1 1 1 1 29281 1 1 1 1 1 1 1 1 1 1 1 1 1 13919 1 1 1 1 32897 1 26709 1 26174 1 1 1 1 10144 1 1 1 1 1 1 1 1 1 1 1 1 1 9795 1 1 1 1 1 1 1 1 1 1 1 1 *72.0574*@2.4404087 raw intensity 14279 28321 1 19876 533014 27359 499821 536304 555928 1 1 1 1 19226 1 1 1 1 3939 15757 1 1 1 112527 1 1 1 1 248953 224225 1 197801 1 1 1 6075 1 171133 1 1 1 1 1 1 1 1 1 73428 151114 164744 1 1 1 1 1 9302 6805 1 1 1 1 1 1 *536.1532*@2.4464998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4611 1 C17 H22 O S2 raw intensity 1 1 185792 242834 231932 235613 128658 122339 136341 75522 1 80391 92894 92738 98047 1 1 28209 119048 123834 117322 172578 160301 169596 1 49145 48408 195008 187793 203700 185415 189758 191194 59023 65393 1 107923 98291 119574 67594 65276 45925 1 1 33276 76936 78179 74415 125876 144260 137626 33389 1 21739 107286 105072 111320 96455 95641 86934 1 28430 1 *407.1573*@2.465588 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15713 1 1 1 1 1 1 1 1 18538 1 17667 14098 18587 14476 14307 1 1 17624 18739 1 24964 20934 23707 1 1 1 18130 15146 15811 1 16524 1 1 1 1 1 1 1 1 15414 1 1 1 1 *568.1801*@2.5186 raw intensity 1 16409 7899 1 20498 24402 30359 1 43013 33659 30213 14482 1 1 10208 7353 1 8659 1 1 1 1 18048 17494 24182 23611 1 1 14634 10153 1 1 7747 1 9254 30976 1 1 9433 11451 1 15650 23289 22417 5340 9953 6572 1 16709 20603 1 11202 26162 25789 12325 1 1 15247 12921 8227 11912 1 4891 *319.1417*@2.463 raw intensity 1 47068 1 1 1 27624 1 1 1 1 1 1 1 1 20553 1 1 36797 1 1 52125 1 1 1 20034 26141 26466 1 41214 40820 1 1 1 20460 17579 40821 1 1 40230 37658 56063 40104 48029 52045 26684 30968 33453 29168 29467 1 30283 12832 14169 1 56044 55533 47180 1 35018 39586 1 1 1 C21 H11 N5 raw intensity 69899 18640 18556 59543 57077 54068 1 15123 1 1 19818 1 9932 10424 9141 1 1 1 1 27270 53899 24118 23560 32491 1 20224 1 12837 41876 25735 13105 1 1 9838 1 1 1 17400 49593 46262 14450 48357 25300 1 23637 46923 47931 16788 44991 49476 53836 1 1 1 42330 48045 40153 39498 11578 44898 25680 1 23506 *136.2375*@2.477 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *219.1086*@2.4763403 raw intensity 254981 234254 238224 163602 151988 146010 110355 105706 106463 1 59919 1 98755 99465 99245 75371 60795 79510 366023 378064 372591 353716 362741 372984 207862 1 196497 284440 273510 281193 226359 221167 193880 119287 115228 124339 177368 1 1 220468 218727 234872 154550 142194 1 163416 1 1 150993 147888 1 1 52173 1 312421 316067 315015 1 152309 1 1 1 1 *332.0982*@2.479 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *230.095*@2.447643 raw intensity 1 1 1 1 1 1 103600 93551 100873 1 1 1 1 1 1 70644 69501 75472 1 103651 1 1 1 1 1 1 1 1 104627 103042 1 1 1 1 1 1 52267 53402 53846 37858 1 1 1 1 1 1 1 27905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *331.1417*@2.4697144 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45270 54851 1 1 1 1 1 21556 19483 1 58983 17558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *434.1687*@2.484 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C7 H16 N6 O4 S raw intensity 1 741288 757941 780737 790858 779239 1215730 1 1215271 1 1033818 1004274 982593 983985 1006388 1 1 195116 296466 1 1 938920 964774 982235 855200 843294 1 1 740640 763120 702046 733581 739304 225784 836365 1251106 644716 598088 1 711931 718210 1 1 764633 149764 708413 652714 678091 835032 874326 754681 980254 894055 1 507052 556838 568301 624579 715351 549474 100035 123278 1 *1186.3387*@2.5061955 raw intensity 1 1 12921 17705 18270 17722 15889 16612 16631 16817 1 16213 11781 11603 11487 11978 11836 10858 8602 9394 9369 11762 10968 12384 7797 8711 1 10940 10880 10660 11656 11650 12634 1 1 1 10528 11240 9890 9772 9025 9594 1 1 1 6782 1 7711 10859 9276 10756 8346 9275 9432 18125 17823 18628 9313 9930 9922 1 8707 8006 *432.6883*@2.5004 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11466 1 1 1 1 1 1 1 1 31299 1 1 3820 1 1 1 9190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8455 1 1 1 1 1 1 1 1 1 1 1 *432.4188*@2.4852002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82128 1 1 1 1 1 1 1 1 1 1 1 1 1 25945 26299 30160 1 1 13415 9980 15376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35407 1 1 1 1 1 1 25456 1 47662 *595.1503*@2.4780002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8019 1 1 1 1 1 1 1 1 1 8929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *584.4745*@2.4864712 raw intensity 1 1 1 1 1 1 24689 25411 23284 1 1 1 1 1 1 24343 1 17936 1 16222 16303 1 1 1 1 35692 31436 14283 1 15003 1 1 1 1 1 1 1 1 1 5779 1 1 25146 23520 1 10146 1 1 1 1 1 1 1 22353 1 1 1 1 1 1 21591 1 1 *216.0443*@2.5444572 raw intensity 1 1 1 1 1 1 1 251543 1 1 1 1 1 1 1 8866371 8989198 8060458 1 1 1 1 1 1 1 1 1 4331638 3501368 4553674 4205765 1 4415877 1168502 1 4636933 3111974 3122231 2982382 3402849 3528188 3583960 1 6128157 6461514 3581565 3565580 3468610 4039957 4038978 1 6132738 4862836 6218308 73291 37342 1 2773423 2819516 2930090 4667133 5719058 5142342 *386.098*@2.53 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H24 N10 O3 S2 raw intensity 1 1 1 1 1 1 58811 53146 54029 1 1 1 1 1 1 80573 74457 74128 37948 1 51586 1 1 1 1 99177 97745 47457 1 48905 1 57065 48843 63501 22995 67375 47966 42854 1 56582 46669 1 108240 114021 1 1 33834 1 31484 1 1 76954 73380 78277 1 1 1 1 24033 1 77024 63949 70168 *292.0962*@2.5203683 raw intensity 1 1 1 1 1 1 202914 1557394 1620793 1 1 1 1 1 1 1 257776 1768479 1437529 1511068 1496961 1 1 1 2371689 1 1 1507951 1 1402474 1430667 1482745 1517360 1 1396403 1340475 1115579 1211918 1203246 1200149 1217856 1 2218340 1 2203933 1176413 1136263 1081810 827923 819970 1 1451802 1530117 554280 233715 232308 241679 736547 804873 740334 1 1777283 1 C26 H36 N4 O S4 raw intensity 1 1 1 1 1 1 46327 39769 49643 1 10339 7844 1 11710 1 1 41492 37775 1 1 1 1 1 1 36567 37847 17963 1 1 4767 1 1 1 40669 43604 1 1 1 1 1 1 1 36615 39838 40200 7885 1 5521 8069 7274 1 37828 36965 36885 1 1 1 1 1 1 41372 36853 33277 *426.1687*@2.5415714 raw intensity 1 1 1 1 1 1 6375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7913 7367 7273 1 1 1 1 1 1 1 1 1 1 1 1 9783 11182 11366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H28 O S3 raw intensity 15514 1 1 1 4679 10496 133374 124664 135683 1 1 1 1 1 1 96856 101524 98490 157878 166075 1 1 1 1 122777 146703 156552 122975 1 111444 1 1 150680 100188 92748 88248 143542 128508 1 1 139011 1 35324 1 120075 1 1 1 1 32659 1 115001 19422 119016 1 1 1 1 1 1 77917 12958 19260 *273.0052*@2.490158 raw intensity 1 1 1 1 1 1 1 1 22538 1 1 1 1 1 1 1 1 25071 1 1 30060 1 1 1 14403 26643 1 26638 1 27355 28320 1 1 22939 19085 15012 1 1 1 6530 14097 19113 11123 15016 1 1 1 1 1 1 1 19982 15030 15567 1 1 1 1 1 1 1 1 1 *680.2857*@2.55615 raw intensity 4701 1 12482 1 1 7298 1 40140 1 1 18672 1 20524 17075 5113 19053 1 1 1 1 1 1 1 1 33316 32949 32514 8437 1 13460 1 5665 1 1 1 1 1 1 1 1 1 1 37902 1 1 1 9224 1 16815 1 1 39930 1 1 1 1 1 1 1 1 1 1 38680 *138.0421*@2.5551429 raw intensity 8993 1 1 1 1 1 1 1 14955 1 20755 21834 15086 14086 14486 1 1 7016 1 20633 1 11469 1 1 1 16683 1 1 20084 22087 1 1 1 5126 5664 1 1 16128 1 1 1 1 1 17337 11703 12917 11920 1 17540 1 1 1 10821 9606 10613 13813 1 1 1 21640 5780 1 9039 *104.0475*@2.552452 raw intensity 1 1 1 1 1 1 3642330 1 3727542 1 1 1 1 1 1 3670146 3601825 1 1479672 1560260 1519064 1 1 1 3255128 3370596 2946006 1160366 1259818 1475524 1465810 1622245 1721242 1 1948337 1 1 990259 1 1 1 1471956 1 1460203 1 1 1 981676 1 961062 973480 4027312 1935041 1973148 1 1 1 662474 453141 632047 1547178 3834364 1 Naringin raw intensity 1 1 1 1 1 1 1 19604 22453 1 1 1 1 1 1 19694 23917 19638 1 1 1 1 1 1 6278 29377 26009 11871 10378 11311 15144 21905 1 20691 1 19737 19131 20881 5330 1 19575 1 28208 31174 28817 1 1 1 8960 1 1 28130 22559 26645 1 1 1 1 1 6234 12183 14935 20448 C26 H13 Cl N2 S raw intensity 7757 1 13262 1 1 16470 10929 11259 1 21169 1 1 26306 16307 1 15636 15819 7132 1 1 1 1 9638 1 7042 9355 10045 7018 15101 13238 11534 16176 1 11809 9583 10997 1 14091 1 1 23173 25801 17589 12637 20680 1 1 1 16866 1 1 1 13353 1 1 1 1 20909 22433 1 18530 6955 14476 *1025.0468*@2.516 raw intensity 1 1 1 1 1 1 49656 58323 1 1 1 1 1 1 1 1 90154 78149 1 1 48778 1 1 1 81412 82704 89370 58980 56254 60696 56431 55615 1 34735 39472 35978 1 1 1 35251 1 1 1 48987 25363 1 1 28376 1 11904 1 1 1 1 1 1 1 1 1 1 47991 62157 77909 *506.2532*@2.5686667 raw intensity 76443 69075 64359 68289 63405 67783 211557 198200 200212 86143 85124 74580 94086 91552 1 107361 1 112986 29838 1 34127 80959 81307 79963 1 94979 92921 47549 1 46634 1 38348 1 139796 140714 1 1 31553 39175 43109 38415 40727 97012 98647 105067 38937 50804 50846 72622 1 72922 135280 1 127726 1 26743 67533 33993 20091 36706 119679 93115 92042 *102.0316*@2.5693111 raw intensity 136459 107298 128532 132679 140444 138347 457666 1 455829 153198 145654 157161 197636 44595 195746 151798 380706 379800 131889 139647 143878 196993 211629 205211 1 427471 412074 153588 159886 156730 169852 174347 166166 326151 305443 308796 116216 84258 100066 54321 133305 119575 306054 133180 291913 143173 137172 142523 145231 151531 149770 279972 260023 269561 28831 117384 120005 107204 102285 104287 113476 125664 318075 *460.1588*@2.5812414 raw intensity 180214 186341 1 181893 1 193963 489406 490016 469892 232086 232887 240343 257019 252711 261378 290820 302370 301052 1 100610 97081 237148 236048 231728 299793 302017 298618 148099 155631 152576 143944 154265 150249 341008 347563 350676 128939 134178 134822 139047 136774 141283 244186 244862 247268 148293 152263 151903 195877 198664 207262 289250 285369 300629 1 147506 147947 1 123628 117059 206887 190618 187599 *72.0218*@2.5711694 raw intensity 1 103668 1 103712 104402 104384 1 330747 1 1 115665 1 143339 149051 146369 249946 242802 241386 75377 75705 71592 118696 1 121847 224526 1 211267 1 80559 76924 74571 1 77056 196988 1 206697 82157 81841 1 1 70957 68734 209131 216616 208821 104031 101006 100483 92280 1 1 193999 206193 199417 89868 98787 90340 83037 76247 76055 1 214502 222932 D-Glucose raw intensity 1109393 1103683 1 1139995 4175426 1144992 1 1.03E+07 1 1232397 1 1 1 1626268 1641838 2768512 1 1 998687 1003576 982736 1461659 1506803 1481133 2299394 2967254 1 1049717 1077943 1059000 1153754 1155255 1 1 2276610 2447222 827108 840460 1 885048 913500 870343 1 1 1 1082540 1090009 1071625 1 1112110 1 2148994 1 1 1 1820787 919255 783625 772565 1 2238022 1 1 C25 H36 N2 O9 S2 raw intensity 1 1 1 1 1 1 16499 14445 12732 1 1 1 1 1 1 16426 18642 17931 1 1 21032 1 1 1 1 1 22094 7139 1 17015 21413 22999 20236 1 1 1 1 10022 1 1 1 1 1 1 1 1 1 1 1 1 1 16137 14233 18185 1 1 1 1 1 1 8258 10643 12033 C22 H42 Cl N3 O3 raw intensity 92461 90198 93316 119721 121028 119209 43542 45431 43460 51972 49763 49909 81455 87599 82379 21873 21210 21158 29573 30022 30355 56439 55269 61362 35144 34096 37149 65127 64767 68803 40201 43410 44441 80377 81144 82320 31476 35752 31459 33864 34406 35224 18566 18208 18084 51033 52206 54132 31080 31726 30841 24004 25444 25312 232181 234773 230397 25881 24836 25429 42545 43080 41991 *661.4811*@2.5774999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *721.5033*@2.5774658 raw intensity 10242 9667 10026 12027 11877 11139 9606 9584 9614 4827 1 4945 9002 9170 8232 1 1 1 1 1 1 1 1 1 7005 7016 7192 7585 7672 7883 3523 3895 1 9848 9052 9856 1 4971 4746 4288 1 1 1 1 3140 1 8375 9592 4606 4970 4539 6193 6189 5843 37455 36195 35887 1 1 1 10997 8308 9339 Arg Arg Lys raw intensity 11318 10673 11029 16452 16442 15374 1 1 1 1 3393 1 6575 7200 7127 1 1 1 1 1 5117 10906 10950 10639 1 1 1 9411 10358 10046 6259 6908 7246 1 1 1 4200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26132 25359 27544 1 1 3263 1 1 1 *219.0406*@2.5806954 raw intensity 1 1 32672 1 1 24361 1 1 118132 1 1 1 48294 1 1 1 1 1 26430 38061 38690 30096 1 1 1 1 1 43795 43231 46239 1 1 59733 1 1 1 41716 39111 1 1 1 40199 103972 1 115966 43078 1 1 1 53543 53134 1 1 1 1 25001 1 1 35060 35759 1 1 1 C10 H20 O9 raw intensity 55038 48983 52707 1 15372 1 1733416 1713331 1738001 42817 37378 39432 1 1 39952 831000 836671 816201 204421 204783 202825 33786 1 1 869786 861222 831668 212873 203086 197735 200549 197934 198229 569667 553459 556225 162317 163986 154481 159642 158752 144901 661543 664367 613412 178509 174411 173276 165606 164588 169836 739920 813565 770038 148285 144433 143459 104535 96826 95792 664628 722990 757256 *472.1593*@2.6089997 raw intensity 25333 20968 22114 1 12310 10553 152375 153278 169894 21768 21154 22322 1 1 1 1 274216 1 1 182465 176869 16079 1 13769 339660 336901 353077 208790 209694 205362 185071 169111 184075 196542 202623 1 155176 151007 151302 137989 139891 137561 278200 1 267651 134133 124150 133412 120934 113329 1 174804 187427 49115 58266 56191 58266 85616 86369 88094 141820 155020 181597 *343.2697*@2.5975 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4540 1 1 1 1 1 3767 1 4757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14778 12811 12243 1 1 1 1 1 1 *652.1847*@2.6060479 raw intensity 44488 43620 44648 51906 52641 51192 58060 60905 57281 56188 55993 55742 44432 44358 45285 43336 41273 43054 34888 36378 35163 43418 43574 43127 34229 40525 41844 40998 39300 40679 40836 39425 40140 22746 22940 27864 35755 37065 38179 35017 34390 36291 40766 39582 30783 32548 32506 32490 42205 41789 43210 40692 47429 40986 43303 41562 42505 30388 30878 29593 41795 39893 41076 C14 H14 N4 S raw intensity 1 1 1 1 6435 8624 110329 106901 100349 1 1 1 1 1 1 100405 89905 90485 69038 70662 66369 1 1 1 180889 180245 163899 38949 42075 41033 80954 74041 70330 111721 106021 103541 32304 34374 31487 51566 63493 44741 183441 196557 194053 53367 50698 50384 59404 66633 57443 216380 221103 219268 13123 12879 1 30514 28653 25435 192883 218901 218724 *184.072*@2.6234999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3883 1 1 1 1 1 1 1 1 5429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *488.1213*@2.65125 raw intensity 5809 6995 6099 1 1 1 11087 14252 10860 1 1 4917 1 1 1 1 1 1 17140 10688 1 1 1 1 1 13366 13403 19130 20968 19594 15754 1 1 12724 1 12354 13902 1 1 20757 13533 1 13447 10124 1 9597 1 1 9552 11297 1 11616 14781 8678 1 1 1 6378 1 14775 10433 6972 1 *430.1031*@2.6285 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6341 8124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *592.2747*@2.562 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24933 1 24667 1 1 1 1 1 1 *458.1443*@2.6150835 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102499 105765 1 1 1 1 1 1 1 1 48425 122815 1 123756 1 1 1 1 1 1 1 1 107817 1 176103 178093 98190 1 98438 1 1 1 1 1 1 1 1 6515 1 1 1 1 103533 1 *610.2911*@2.6373749 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7597 1 7821 1 1 1 1 1 1 43253 48586 49794 1 1 1 1 1 1 8947 9350 10122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *638.323*@2.637 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25728 1 25015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *564.2672*@2.6399999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11812 10956 10585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *624.3078*@2.6362221 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6538 10130 1 1 1 1 1 1 56991 1 57570 6396 1 1 1 1 1 10056 10210 9190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3673 1 1 1 1 1 1 1 1 *298.1163*@2.6364286 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44492 30264 1 1 1 1 1 1 1 230142 228710 235432 20052 1 22858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *596.2708*@2.6457498 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34330 1 1 1 1 1 1 1 1 16709 16899 18076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *334.0839*@2.642 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40746 40224 42448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *512.105*@2.6516666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5463 6483 6824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *361.1131*@2.644 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *306.073*@2.66725 raw intensity 1 1 1 1 1 1 1 1 1 14977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11460 1 1 1 1 13725 14149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12531 12397 13185 1 1 1 1 23752 1 *268.0827*@2.6766312 raw intensity 1 1 7559 1 1 1 1 1 1 13118 11410 10300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4652 10235 9968 9673 1 1 1 8203 1 6790 1 1 5742 5044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8630 1 9137 9285 8539 13223 16590 16088 *527.3543*@2.6806462 raw intensity 24529 20861 19420 17824 16929 17082 21837 23867 24341 12623 12433 10792 20106 22902 23417 1 1 1 1 1 4146 7731 6798 7517 5541 4781 1 5190 4537 6411 1 7276 8249 6132 7121 6444 14719 14849 14474 1 5547 6222 22489 24069 1 1 7050 5964 1 6625 1 1 1 1 8525 9114 8768 11035 11259 10283 13895 13277 11934 C11 H4 Cl N5 O2 raw intensity 17404 1 23565 16076 18225 15599 1 12313 12936 33996 1 31445 16678 28741 25920 1 1 1 1 1 1 21999 8970 14411 1 1 1 13960 13356 24509 1 10679 1 16502 15360 1 11941 1 9607 7859 7681 9415 1 1 1 6879 1 3285 6016 1 7234 7688 1 8845 1 6586 14584 1 1 1 1 1 1 C21 H42 Cl N3 O6 raw intensity 9382 10741 7616 10757 1 10253 1 1 1 8067 9506 8146 1 25422 1 1 1 1 1 11419 11137 1 1 26013 1 12091 1 10056 1 15729 1 9328 9662 4631 1 1 1 11228 7077 1 1 1 1 1 1 1 1 1 7584 7819 5911 1 1 1 7755 7750 7757 1 16294 1 1 1 1 *198.0744*@2.6957645 raw intensity 49882 53407 50191 47372 46823 47963 28949 28272 29082 64673 63200 62489 73137 72704 73955 56672 57428 58527 1 1 1 21596 21155 22886 41774 42927 43435 97517 96283 101534 104594 108116 106237 88610 89779 90877 9182 9171 9127 38997 37994 37625 12282 13133 12566 41491 41564 41647 1 1 1 1 1 1 1 1 1 76792 78446 80361 65170 69010 68488 *510.2428*@2.6951668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4788 6937 3605 4368 1 1 1 5496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5090 1 1 1 *494.2832*@2.7035 raw intensity 1 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H18 O4 S raw intensity 1 1 1 45900 41181 42844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13884 16177 1 20149 18112 1 1 1 1 12824 11619 20605 15675 20291 1 1 1 1 1 1 21470 22421 23629 1 1 1 23160 25489 23913 10051 10754 9630 1 1 1 *408.4026*@2.7045 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4972 1 8669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *204.0801*@2.7834284 raw intensity 1 1 1 425692 1 431044 676934 1 725430 1 1 1 1 485570 512039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *216.0742*@2.7398572 raw intensity 1 10801 1 21540 1 1 1 1 1 1 1 1 1 1 1 873983 1 1059881 243320 214659 228450 1 1 1 1 1 404275 280309 437403 478197 269116 396534 1 322456 1 283259 1 1 1 1 163199 1 1 1 1 139527 180067 1 1 1 1 1 1 1 1 1 1 82526 87338 94978 1 1 1 *264.1118*@2.7357733 raw intensity 92682 88089 86135 66986 66247 69232 57540 61278 60237 82208 80859 80651 85598 89345 87854 26736 25489 27064 1 1 1 113722 115430 115015 14260 16774 18472 40840 42339 42067 27484 1 1 28366 31296 31263 48303 48683 52208 1 1 1 1 1 9317 20649 20644 21236 1 1 1 1 1 1 92031 101373 97411 63426 67259 66357 1 1 1 C20 H42 N8 S3 raw intensity 29898 26468 29606 20755 21553 19950 17015 1 16099 18909 19287 17749 25797 26630 25663 1 1 5462 4774 1 1 39530 41960 40966 1 1 1 15099 14574 13596 1 10055 11456 11459 10620 10222 21662 22295 21495 2843 1 1 1 1 1 5155 1 1 5548 4711 5671 9339 8663 9198 45558 47550 44520 18002 19055 17841 1 1 1 C22 H36 N8 S2 raw intensity 24641 19857 24036 12610 1 14910 15089 1 14408 15713 17540 15300 18042 17963 19830 1 1 1 1 1 1 25043 25613 26482 1 1 1 1 10706 8551 1 1 1 6047 1 7031 9821 10874 11548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41258 38293 40443 10854 11469 11564 1 1 1 C7 H16 N8 O2 S raw intensity 167100 163050 168358 91571 92893 92255 171690 168958 177249 125294 120351 123683 89192 89125 93022 87558 1 1 1 1 1 170792 170054 174682 1 1 1 120228 122195 123782 1 1 1 1 1 77729 121703 114768 115749 1 1 1 1 1 1 1 1 1 1 1 1 1 27495 28288 187843 185914 185062 105700 109623 109362 1 1 1 *427.2688*@2.7442777 raw intensity 1 1 1 1 6789 7971 1 1 1 1 1 1 5648 5867 5212 1 1 1 1 1 1 15444 14464 14481 5281 5130 1 8513 6922 6016 10502 9496 9576 1 1 1 27628 1 28057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *504.2749*@2.7375002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5728 4973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *376.1424*@2.7401667 raw intensity 12585 13021 13388 8068 8809 1 14618 12779 13829 9621 1 8583 6091 1 1 1 1 1 1 1 1 12747 9912 12178 1 1 1 6588 1 7076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10346 12640 1 1 1 1 *268.1252*@2.740214 raw intensity 13757 12341 12230 1 1 1 17359 17421 19665 1 1 1 1 1 1 1 1 1 1 1 1 8756 10724 8043 1 1 1 1 1 7946 1 1 1 7058 1 1 6924 1 8833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19633 1 1 1 1 1 1 1 *295.0948*@2.744 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1025.0461*@2.7213888 raw intensity 1 1 17888 30121 30816 31331 1 1 1 29063 1 26737 1 1 1 1 1 1 34568 29331 40510 1 1 1 1 1 50108 52481 54100 50249 35894 43814 40860 27829 31591 31856 1 1 23604 27160 29319 28723 36773 32905 41366 22369 20045 14927 20822 21535 21624 38807 46950 47395 1 1 1 1 1 1 43173 1 1 *262.0978*@2.74392 raw intensity 1 1 16584 1 1 29318 29338 30034 1 11172 1 10551 1 15028 13436 30483 30533 30158 92884 97218 95359 1 1 1 38863 34083 34652 86416 91726 88532 1 172027 177368 108611 100086 108449 87762 80286 82122 89618 90463 96208 72800 64915 58160 57894 59039 58422 107065 108284 104122 163665 161111 163595 1 1 31878 104495 111035 103531 56000 64351 56668 *208.2706*@2.703 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17930 22356 1 1 1 1 1 1 1 1 28842 21030 20142 1 1 1 1 1 1 1 1 15663 16249 1 1 1 1 1 1 11661 1 1 1 51844 1 1 1 1 1 1 1 23935 1 51730 a-hydroxybutyrate raw intensity 682323 941137 1 1363102 1323992 1369987 1 1 1 1 1938831 1 1 1 1738326 1 1 1 924287 1009225 957790 861928 801060 805345 1 1 1 1292303 1212548 1240399 1148458 1141559 1006172 1109363 1040613 1131066 647768 675514 666584 908310 1 875554 1286306 1271126 1078689 655172 662493 644881 673342 1 624395 1 1 1 402784 1 831449 1 377306 364996 1 1 1 *258.9905*@2.7670004 raw intensity 1 1 1 1 9881 1 12008 7760 13348 1 1 1 1 1 1 1 1 8951 1 1 13328 1 1 1 15002 23399 1 1 17626 9252 1 18700 1 23556 1 1 1 9490 1 1 1 10053 1 1 1 8337 6665 1 1 13864 12210 9948 1 1 4751 3543 1 4652 8482 1 1 1 1 C20 H14 O3 raw intensity 1 1 5837 1 1 1 35544 37069 1 36177 35015 31747 1 1 1 35538 39827 1 1 1 68020 1 1 1 1 73821 1 1 60076 63382 1 1 1 1 1 1 58952 43778 59670 1 1 1 1 58958 56364 30967 1 1 1 1 1 38310 36693 38378 19810 17938 18429 1 39204 1 26782 1 1 *280.0774*@2.7540529 raw intensity 1 1 1 82433 99402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123451 1 1 1 1 1 1 1 127170 68870 110154 138129 109180 114709 1 1 1 93720 32863 31443 65041 57345 53474 1 1 1 1 1 1 143508 132803 53469 1 1 1 1 1 1 1 52221 1 1 1 1 *102.0316*@2.7805 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15734 1 1 1 1 1 1 1 15588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *898.257*@2.7848413 raw intensity 27918 28437 29007 30399 30042 32048 30203 30730 31222 36341 36582 37708 30413 30440 30480 24175 25244 24099 23711 22631 23468 25103 27112 25531 19889 19046 19530 26507 24895 26448 24617 25478 25073 8698 8111 8318 23601 22908 20648 18317 18943 18374 14371 13955 14042 17052 18572 17805 18432 18916 17776 17334 17519 18467 28840 26831 25208 19663 20293 17727 16991 15348 17612 *288.0819*@2.8646667 raw intensity 1 1 1 1 1 78860 1 18216 1 1 1 1 1 1 1 1 34407 1 1 1 162789 1 1 1 1 81750 1 1 1 151885 1 189918 201126 80319 1 97644 41485 52659 1 118403 1 1 69953 1 123984 1 1 88336 1 1 1 1 82554 1 1 1 1 1 47696 1 1 1 1 Chenodeoxycholyltaurine raw intensity 30014 27808 27774 1 1 1 23059 22825 21183 23990 22869 23822 1 1 4255 11547 17198 1 1 10145 8474 13618 12597 13327 43800 40579 42562 18528 19557 19931 5077 5175 4332 1 1 1 9298 8321 8618 12635 13456 1 78074 72583 75701 11456 12044 11224 18116 17733 17361 42572 40997 41944 134157 134855 136636 8033 7953 9580 92836 94973 90634 *513.2748*@2.9668095 raw intensity 462955 466564 466275 97499 85902 96862 490391 471606 495073 28297 30352 34613 236695 242119 243285 376380 372379 381757 429272 430919 430960 675849 684274 661514 436620 431108 435568 223966 215088 217421 1920160 1904189 1925519 706670 718894 725093 185356 190267 190062 13594 14510 14167 39683 33101 35727 301478 292150 295364 141904 138521 133665 413246 406716 409527 41431 40100 36752 703373 702010 699033 595717 620586 593052 *535.2568*@2.9695003 raw intensity 34270 34168 34263 6653 1 1 28736 28316 30340 1 1 1 22512 23205 23113 14735 16546 15726 16947 16155 17056 57070 55994 56418 16647 16723 17814 13108 15321 16228 49453 51984 51582 27519 27734 29407 10867 10031 10120 1 1 1 1 1 1 11305 11789 12601 1 7483 8695 17858 14042 19422 1 1 1 24997 27014 24812 20845 21639 21440 *510.2247*@3.0487812 raw intensity 1 1 1 10254 1 1 14668 14004 13227 1 1 1 1 1 1 1 9320 9865 13430 12736 10343 1 1 6834 15339 1 14662 15993 15484 16028 1 1 9504 1 6039 1 20422 20219 19571 8872 8406 10026 11068 9902 12795 9468 11053 1 14583 12400 13857 18160 16911 18164 1 1 10747 10690 8293 9329 23266 24069 23010 *412.2082*@3.0524654 raw intensity 1 1 9532 1 1 1 32691 34064 32629 13677 1 1 1 10276 9017 1 14642 18080 14022 1 17872 14492 27850 22378 22694 26133 14709 23833 23467 26176 1 1 1 1 1 1 32104 26959 25945 1 6367 6297 8090 1 9621 8581 10324 1 20946 18413 1 26758 22651 25894 33257 33078 31919 12965 11583 13359 42658 49223 39256 *280.0778*@3.0108335 raw intensity 17213 40842 21555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9034 1 1 1 1 1 1 1 1 1 9958 8449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *499.2947*@3.0892773 raw intensity 21516 19871 19848 1 1 1 1 6054 1 14047 14390 14418 1 1 1 17728 17920 16941 14813 12714 14242 29416 30673 30648 64441 65970 68816 9629 9766 8183 5692 5541 1 1 1 1 1 1 1 1 1 1 1 1 1 32212 31409 31588 1 1 1 6864 3789 7350 1 1 1 8116 7145 7527 36912 37400 37575 *463.1726*@3.0916793 raw intensity 16215 15195 14672 12338 11628 12999 22260 19082 23814 15149 17231 16606 1 1 7346 11752 11733 11395 15252 15984 14825 16322 11309 16303 8935 11607 9842 1 23546 23628 12417 13634 13112 16075 19451 21640 25226 24479 24373 36047 35787 32495 21391 19612 20525 1 1 1 23682 23004 26928 16688 1 13752 1 14196 12018 10767 10822 11271 1 1 6071 *390.0261*@3.1307502 raw intensity 1 1 1 2587 1 1 1 1 1 1 1 1 1 1 1 1 4494 11268 1 1 1 1 1 1 1 1 1 1 1 16362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *88.0159*@3.1621935 raw intensity 1 39361 1 29022 29338 24468 15133 1 1 42791 1 49030 1 1 1 1 1 1 41396 38767 44476 1 1 1 1 1 1 1 31532 33671 27316 30859 31091 1 27072 22182 1 1 1 1 1 23014 1 1 1 20106 1 1 1 22646 25204 27786 21417 1 39620 44920 43197 1 27757 29912 26357 36597 37486 *280.0807*@3.2154999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4334 2891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *496.3104*@3.1652498 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4041 6424 1 1 1 5730 6425 5140 8494 7906 7401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1009.0129*@3.1606114 raw intensity 1 1 1 1 1 1 1 1 1 1 5997 1 1 1 1 1 1 1 10541 10521 10903 1 1 1 1 1 1 10051 6999 10563 9040 7798 8197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5471 1 1 1 1 7408 8854 7978 1 1 6289 7589 8402 9076 *433.3154*@3.1697502 raw intensity 1 1 1 1 1 1 9405 5352 9651 1 1 1 1 1 1 1 1 1 5944 7872 7065 1 1 1 1 1 1 11197 10710 12455 22471 13235 20056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *364.0994*@3.191115 raw intensity 39622 36529 41063 36465 1 36355 34853 35756 34573 55670 50454 52405 36113 38877 38458 24738 22922 26702 19335 17542 20152 39897 44394 43140 18864 6878 18720 33182 32303 30402 21811 24730 25480 1 18524 18496 22854 25255 20233 22305 23193 21223 14108 14752 13967 16135 16182 14417 23398 24984 23144 23886 21478 19370 27399 26321 25148 15744 17206 16915 13090 15762 11704 *179.1722*@3.2332504 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16363 17049 16272 1 1 1 1 1 1 11390 11417 12468 1 20750 1 1 1 1 1 1 1 1 5531 1 1 1 1 1 1 1 1 1 1 13793 1 13602 1 1 1 1 1 1 1 10879 10391 *179.0579*@3.2334843 raw intensity 334706 317703 333747 535614 535084 540247 575193 582618 586919 161262 159017 158113 206693 208709 213426 196164 206013 211379 1355708 1367702 1389682 146452 155706 160937 1 192551 199899 1031160 1035469 1106646 1535146 1577962 1594804 710072 721243 706523 461500 455623 455837 624107 627402 639226 408478 411546 418210 664120 658576 664298 137431 137129 137020 1225676 1190942 1197356 657684 651609 656820 607180 618671 612953 853304 1000418 1015262 *135.0678*@3.23384 raw intensity 23291 22737 24148 36559 36951 36970 38035 39402 42124 13217 11903 1 14443 1 15117 16236 1 1 93415 96891 97403 1 1 1 1 1 1 68108 67769 70711 98728 104307 106007 48894 51858 49016 32786 33671 31891 43589 45113 45402 29778 30154 33303 50406 49222 53840 1 1 1 86625 88633 88567 48504 49157 52097 48820 45606 47885 66021 74314 82966 *78.0472*@3.2330997 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14612 1 1 1 1 1 1 1 1 10885 1 1 13728 8155 1 1 5392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15156 1 14715 1 1 1 1 1 7308 10824 1 12881 *1039.0278*@3.2435005 raw intensity 1 1 1 1 1 10268 1 1 1 1 1 1 1 1 1 9596 10511 9704 10426 10430 10080 9211 7982 9962 10349 12205 13167 12845 13488 12207 13730 13654 14842 1 1 1 1 1 1 10758 1 1 1 1 1 1 9672 1 1 1 1 1 1 1 1 1 1 1 1 10143 1 9157 8982 *936.3643*@3.246634 raw intensity 8669 8015 8399 10891 11979 11255 10555 11123 11803 12077 12464 11857 9530 8510 9714 1 1 1 1 6313 1 6252 6860 1 1 1 1 7395 6438 7935 7846 7706 6854 1 1 1 8832 7657 7020 7661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7106 6706 1 1 1 1 1 1 1 *76.0163*@3.2450647 raw intensity 133045 131469 131411 157364 155606 155011 161664 159784 157771 187288 177967 186222 145605 143165 142741 128250 128617 128521 130368 131483 128336 122822 121276 123616 116779 119093 116647 131685 1 126367 128961 131463 134188 82112 85880 87096 112344 111864 111960 113486 112261 113349 90498 87216 91006 116041 118712 100459 116691 115628 116359 103731 102721 103561 103213 101017 103820 108455 108488 107507 90510 101796 100934 C29 H30 N4 O9 S raw intensity 40955 40974 42569 50052 50656 51173 50604 50712 51004 55952 54372 53541 42854 42710 44888 37499 37700 39023 39495 40286 41065 39810 41842 41984 31716 32484 33612 48567 49224 46892 38680 40918 40447 19376 20369 19230 33099 34616 34618 31880 31614 32820 24014 26861 25711 27576 26160 28722 33829 34585 34658 31259 29881 30044 36851 37550 36151 29237 25727 21212 26529 30265 29118 *708.1932*@3.2459145 raw intensity 11578 10534 12932 16060 16243 17086 15165 16312 14388 15378 17715 15063 12876 10555 11634 13549 15151 12467 15525 12588 16947 11974 13777 13252 14568 14727 15055 18163 18251 18926 18130 17055 18129 6550 7579 1 12840 14243 12699 12602 11455 14704 10222 8125 9763 12305 10187 10084 11538 11347 12646 9854 7892 8533 1 5960 1 9581 9716 10050 5751 1 5832 *118.0347*@3.2502859 raw intensity 1 22678 1 1 1 1 1 29602 1 1 1 1 1 1 1 1 1 1 1 25873 1 15938 31598 1 24458 1 19741 1 43035 35926 25657 30255 1 1 8460 1 1 1 1 1 20537 19783 22630 1 1 22265 20261 1 1 1 1 1 1 1 24968 25763 1 23589 1 18799 1 1 1 *742.2396*@3.2853334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5770 6173 4809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *430.2226*@3.2979999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39654 43216 38874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24459 23604 21762 5953 1 1 1 1 1 *444.2404*@3.2989998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5811 5519 6255 1 1 1 1 1 1 1 1 1 133197 135769 134278 41799 40971 39488 14593 14930 16256 24635 23704 24943 4150 4134 4505 7990 8144 9210 1 1 1 1 1 1 14498 11883 12486 75907 76335 76820 19075 17632 17716 13545 11306 11757 *458.2545*@3.2993948 raw intensity 1 4451 4954 1 1 1 1 1 1 1 1 1 1 1 1 7413 7489 6965 1 5695 5740 1 1 1 1 1 1 167227 168980 167718 52275 53456 55033 19901 20124 19808 32865 32876 33551 6633 5588 5625 10894 11547 11458 1 1 1 3934 1 1 15398 16411 16475 97924 96087 99513 25415 23729 21679 16412 16183 15297 *222.0939*@3.3006666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16602 16897 17333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *472.2701*@3.299143 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 77567 75067 74391 23652 23544 23571 8076 8044 9107 14458 14239 14497 1 1 1 4781 5168 4904 1 1 1 1 1 1 7175 6677 6960 43305 42696 42385 9925 10159 10014 8224 7484 7261 *398.2164*@3.3007998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13553 1 11346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9202 8364 8456 1 1 1 1 1 1 *346.0512*@3.303 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *208.0186*@3.3021998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20990 1 20488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15109 14778 15929 1 1 1 1 1 1 C27 H38 N6 O8 S raw intensity 35588 32274 35629 1 1 1 53120 50642 54443 1 1 1 96312 96447 98348 167920 173843 177649 45204 44627 45938 59929 60400 60445 83965 84416 89867 143528 143109 160891 344010 339827 348056 48372 51433 51178 114888 112016 109232 51400 49830 54173 54798 51433 55005 25306 22211 23419 104255 95414 96791 36102 34064 35497 1 1 1 530599 556498 558328 252187 248279 259956 *530.2132*@3.3292 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 15540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8769 6275 8784 1 1 1 1 1 1 1 1 1 1 1 1 *620.2636*@3.3138235 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20034 20572 21402 1 1 1 1 1 1 1 1 7845 7176 6883 7547 13231 12681 12406 1 1 1 1 5972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21490 22550 21549 26915 25971 26845 C23 H28 N10 O4 - 3.3339033 raw intensity 234990 233236 241934 27029 28597 29115 304525 301798 313328 1 45326 43869 711334 715653 730970 624474 644277 639399 124542 124106 122893 393188 402446 402186 256912 260880 253837 162436 152933 156347 442571 438784 453181 139414 154469 160577 287844 291324 287953 174224 174163 178279 138873 139576 141523 81191 78907 77875 430628 436540 426250 115760 114117 125744 16522 14033 18396 1601123 1598447 1572736 855576 868017 855200 C16 H20 N2 O S2 raw intensity 1 1 1 1 1 1 1 1 9213 1 1 1 1 1 1 26173 28569 27556 12941 12511 14718 1 1 1 22695 24137 24934 18686 20071 23328 18471 21940 19149 30609 31770 27910 10525 1 12756 13525 12427 14473 57399 54493 50973 1 1 1 5025 1 1 17095 15828 20933 1 1 1 1 1 8714 32039 32899 32693 *258.061*@3.3526669 raw intensity 1 1 1 1 1 1 12135 1 1 1 1 1 1 1 1 36867 1 39032 1 15393 14453 1 1 1 1 29974 29288 15396 14391 14333 17523 16439 20025 27334 26431 29183 11217 11560 12531 1 10692 13589 1 1 1 11779 1 12821 7410 1 1 20154 17917 20504 1 1 1 1 1 1 1 1 1 *390.0277*@3.462 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *207.0883*@3.5453799 raw intensity 9403 9508 9703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13709 13236 13725 8550 8219 8585 4930 8612 1 18443 18250 18671 12928 12716 1 1 1 1 10833 11129 9925 9187 1 8528 6187 5846 1 1 1 1 11399 12199 12573 7259 1 8100 1 1 1 1 1 1 1 6184 1 *258.0604*@3.6030002 raw intensity 1 1 1 1 1 1 24694 1 1 1 1 1 1 1 1 64062 62321 70488 1 27523 29202 1 1 1 1 56979 56436 1 27988 28313 32843 33639 31372 47731 48613 48531 19858 17539 18487 1 1 22312 1 1 1 19284 19768 1 12232 1 11574 33865 29845 31693 1 1 1 21694 20121 23285 1 1 1 *453.243*@3.6601803 raw intensity 53568 51347 53436 59554 58392 57055 28637 27735 28532 25252 29284 27682 40987 40860 41554 13517 12541 12827 19715 19184 19060 17115 16444 16422 17138 16715 1 25146 23204 21637 17361 16033 15347 61012 61060 61577 21683 21431 22329 23705 22844 23159 14880 15282 14907 42461 40779 41371 24276 1 20753 21810 23025 21294 95368 94063 95099 16669 16315 15762 31951 30651 29414 C29 H31 N9 O S raw intensity 11577 13578 15751 10506 11910 10339 11227 13165 13369 24900 28120 29170 17119 17658 17626 6352 7425 8136 14224 15188 16036 7497 8634 8184 7873 9116 9595 21226 23275 24121 16384 16565 17645 22075 20701 20306 10323 11214 11195 9721 9649 9837 1 1 1 23283 26144 29130 10421 9916 9878 10861 11600 11144 33772 37149 38544 6636 8000 6002 18877 22065 23628 C18 H34 Cl N3 O3 raw intensity 261249 256841 274501 298904 300982 308153 169047 167475 168201 158579 155469 153269 230689 238530 236215 82831 87357 89403 111626 135001 138324 164478 169281 178270 167332 174720 180177 268946 274466 275231 195311 200717 204603 306291 304997 313231 119665 116334 119503 107837 113795 113058 71148 68570 73084 186979 182129 187037 112640 110453 110801 110976 108430 111887 515498 517539 527291 82663 82518 74424 139708 137369 140276 C23 H35 N3 S raw intensity 16202 17920 16319 16624 18112 17448 9310 10131 9941 8990 9315 8244 14134 14744 14392 1 5911 1 8709 10661 8653 8297 7639 1 1 10753 10602 16058 14091 15479 1 11572 1 20292 19750 19185 6418 8112 7216 7217 6438 7115 1 1 1 14522 14149 13951 8012 1 7077 7379 1 7865 44604 42224 42205 5795 5806 4921 14144 14773 14276 C15 H26 N14 raw intensity 182326 177439 186692 193913 195260 189274 92812 91902 94304 94927 92907 92296 131067 135182 136273 43830 44884 44559 77053 80523 77714 85297 89783 90944 71929 74806 76938 167353 169580 169776 113332 112814 114421 189061 188268 189380 69236 68792 67406 67348 70934 68528 39460 38018 37892 115821 110296 107744 70770 71949 72315 70896 66713 71171 276174 274980 279094 49268 48299 47441 87437 86949 87093 C40 H63 N3 O S2 raw intensity 14279 13426 14955 14544 14664 14012 10606 9697 9522 7847 7348 7958 10187 9470 10195 1 1 1 7558 8238 7596 1 5713 1 8199 8742 9090 13102 13371 13289 9569 9577 9456 16537 17033 15147 1 1 1 1 1 1 1 1 1 12654 11224 11905 1 1 1 7434 1 7602 22731 22278 23524 1 1 1 12091 12863 12134 *651.4261*@3.6587057 raw intensity 12517 12058 13293 12060 13460 11917 8863 8130 5946 1 6391 1 9164 9790 9112 1 1 1 1 1 6515 1 1 5166 7965 8089 7966 11376 11789 12028 1 9272 1 14860 14029 10538 1 1 1 1 1 1 1 1 1 11382 10165 10704 1 1 1 1 1 1 20671 20331 19913 1 1 1 10955 11669 10709 *475.1525*@3.662887 raw intensity 38866 40722 39180 43598 39591 41981 26059 27422 24309 25455 26190 24078 31742 30384 35939 15044 14510 14340 26256 22376 21050 13564 13855 13145 19656 19794 18443 28000 30531 30887 27646 23793 22327 49467 45684 48180 24883 22331 1 23233 18386 18867 17323 14290 11396 38695 37498 33795 22430 19777 21828 20828 22468 17988 66629 69724 68852 14157 16195 15982 28315 28641 28139 C24 H22 N14 raw intensity 31344 30281 34831 1 1 1 49030 50159 53259 1 1 1 32103 32711 36237 26690 29174 33674 18722 19657 18086 22297 19612 19110 1 13594 13325 33591 33233 34901 51377 49169 52971 14343 1 16060 30493 26555 32593 20689 19983 20350 15038 17231 17366 1 1 1 39045 37872 36898 13734 12371 12910 1 1 1 131756 133035 128960 80402 1 82325 *270.1557*@3.7285 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9027 1 8573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *610.1753*@3.736 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5487 1 1 1 1 1 1 1 6451 1 6565 1 1 6629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *377.1472*@3.78975 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17515 10903 10199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5466 1 1 1 1 *342.4017*@3.8179998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8843 1 9455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *171.089*@3.8186665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809845 813490 807223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1092.0919*@3.821 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8387 9145 9297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *271.0127*@3.8205 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7688 7373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *521.2441*@3.9567616 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 25650 25879 27196 19056 20047 21224 1 1 1 28851 30876 32189 19044 18977 21628 13741 14549 15370 1 1 1 1 1 1 1 1 1 23171 23809 25396 17516 17767 19778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *535.2574*@3.95575 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 11020 11072 1 1 1 9424 1 1 1 1 13753 1 7476 1 1 1 1 6390 1 1 1 1 1 1 1 1 1 9846 1 1 7860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *409.0386*@3.961 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 34647 31849 31953 22160 25183 25682 1 1 1 17389 16667 17284 11568 12216 12050 10920 12579 12244 1 1 1 1 1 1 1 1 1 22156 24845 26008 13688 16635 16369 1 1 1 1 6225 6685 1 1 1 1 1 1 1 1 1 1 1 1 *177.0454*@3.9710004 raw intensity 18982 1 1 16885 18106 1 1 24702 23468 14727 1 1 1 1 1 13798 1 1 1 42760 44125 29958 1 1 1 1 1 1 45955 50949 41586 1 43790 1 18340 18549 1 26047 1 19042 18809 19818 19308 1 18916 24373 1 1 21366 1 22248 23037 1 1 1 1 1 1 21999 22486 1 30835 1 *465.0889*@4.0993333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20446 21865 25192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *402.0936*@4.103 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65602 55608 74591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *486.2369*@4.133675 raw intensity 1 90968 120326 13016 15110 14526 10447 1 13956 1 1 1 1 1 1 1 1 1 21176 20793 19466 14868 18248 17245 19261 16920 18722 1 23833 31136 17688 22991 1 6462 1 5883 1 70435 57252 15658 1 20946 24659 25882 27491 1 1 6201 1 1 1 1 4891 6901 12002 1 12338 14629 16296 18747 13779 16754 18193 *513.2576*@4.134833 raw intensity 97584 86713 93853 13260 19885 1 14551 15013 14182 1 1 1 1 1 1 1 1 7130 1 21161 21143 15552 17814 19076 14751 18777 19496 29454 31048 35882 1 1 1 1 8557 1 50898 51100 43724 16881 17324 19735 24849 21651 23898 1 1 1 1 1 1 10238 1 1 1 1 1 1 19175 19031 17740 21394 20361 *137.0832*@4.1409373 raw intensity 1 1 1 1 1 1 1 6198 1 1 1 1 1 1 1 11502 1 13566 11098 1 10058 1 1 1 9940 1 10913 12697 11755 11235 13819 13983 14439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4380 1 4323 1 1 1 1 1 1 1 1 1 1 10700 *450.2602*@4.158574 raw intensity 508667 368858 373977 70836 69328 71215 66187 77613 68114 13743 14468 14352 18687 20384 1 27903 32217 1 88844 87066 89324 59056 61882 60901 72288 69969 73523 136207 112576 113091 83322 83718 102838 34386 38096 37180 316608 243885 241292 73675 89858 76355 117981 118202 116816 29922 26814 29590 22661 22533 22167 48854 36237 36832 70487 70035 71804 85833 89129 89154 86163 96781 95847 *664.2465*@4.150857 raw intensity 9650 11486 13205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4464 1 1 1 1 1 1 13177 16062 13972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *544.3748*@4.1835 raw intensity 1 9018 9495 12627 10990 12454 1 1 1 1 1 1 8654 9442 9335 1 1 1 1 1 1 1 1 1 1 1 1 7498 6399 8488 1 7944 7990 6961 1 7440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28437 28985 29401 1 1 1 1 1 1 *564.2532*@4.1568413 raw intensity 121128 1 1 21320 18516 21062 19274 18884 16364 1 1 1 1 1 1 1 1 1 12766 10717 10707 1 1 3834 6868 1 1 1 10376 8766 5744 1 1 10245 9529 9679 73008 73078 1 21015 19571 23852 38345 30066 39022 1 6897 1 1 1 1 11274 11619 11346 20816 1 22712 26469 27248 27839 26699 19039 15899 C32 H53 N5 O2 S raw intensity 19781 19741 19207 27297 26948 25122 13338 13219 12307 12127 11424 11586 18167 19046 19025 5556 5758 4922 9669 9307 9430 9229 8279 9750 11129 10413 9577 15684 15991 16235 13056 12531 12587 18582 18520 19353 10145 9620 9428 10496 11369 9984 6104 5734 6253 15081 15903 14928 8004 9187 9053 8150 7588 7582 66030 66082 63667 6286 6880 6158 10858 9711 9744 *113.0589*@4.2104115 raw intensity 788145 1 1 1 1 1 1 1 1 701535 706160 1 1 1 1 1 1 1 1657962 1641787 1655849 1 1 1 1114634 1120177 1126351 1575323 1 1564020 1440225 1443367 1467963 1 1 1 1 1289429 1 998676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756001 *226.3818*@4.211 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6273 1 1 1 1 1 1 1 1 6713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *113.1506*@4.209 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17174 17833 1 1 26733 1 1 25515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *528.2209*@4.3104353 raw intensity 14135 1 12553 1 1 1 1 10930 12925 1 1 1 9285 1 8669 13431 12033 1 1 1 8062 15830 16218 14968 19846 16409 18906 15163 15622 15021 1 22975 21987 1 15025 13317 19119 19445 19049 17286 18709 1 21007 19656 21290 17802 16864 18372 1 16335 18163 19492 1 17658 27015 27020 23774 11603 18102 17937 20902 17056 20915 *237.0986*@4.3401246 raw intensity 1 1 15187 14837 1 15534 15354 1 15942 7377 8354 1 1 1 1 9491 9280 1 1 1 1 1 1 12266 17399 17809 19124 26368 23357 26399 1 1 1 1 11271 1 1 1 13735 11695 12583 12590 11846 12398 13717 8237 1 8015 11201 10669 10028 1 1 1 13259 12618 1 1 1 9249 1 1 1 *472.2298*@4.38575 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19713 20971 19775 16668 16088 15275 7104 1 7183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *457.2249*@4.395508 raw intensity 174111 167384 164487 205917 209294 204637 136581 133867 132644 110479 108488 107264 156212 151904 151370 52056 42490 37942 38427 32606 31530 54129 49390 44889 27299 23220 22504 19842 18389 14619 11202 10774 9628 55662 56753 57158 80644 79911 81368 89989 91249 89728 104806 102983 105518 97203 96836 94714 90515 92794 89090 87590 87425 89011 372113 370381 366075 115265 112860 109933 109671 77255 57662 *448.1401*@4.5724745 raw intensity 10859 10854 10292 9017 9187 5966 1 5817 5693 14345 12812 14002 5293 6612 1 1 5277 4777 10808 10456 11413 6977 6621 5745 5999 6312 7021 7451 7295 7491 6663 6743 5767 4396 4797 4727 8652 8634 8132 13107 13289 13506 8027 7516 8710 5716 5298 4568 7866 6516 7231 6448 7032 5882 13752 13090 14077 1 6723 5514 11808 12379 10808 *298.1052*@4.6020455 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82711 81387 82751 148886 159464 168315 31357 1 35319 115844 113623 123173 94900 94415 99239 92722 92146 94029 81414 81560 77973 41789 1 1 1 1 1 32556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *512.0921*@4.59775 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7670 1 1 1 1 1 1 1 1 7761 1 1 1 1 1 1 6729 1 7414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *412.098*@4.602 raw intensity 1 1 8812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13537 12479 1 21387 1 1 1 1 10077 1 9483 1 1 1 30018 29714 31847 27628 25083 26157 16721 15006 17023 1 1 1 10435 9547 9982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *310.061*@4.6287775 raw intensity 1 1 1 5943 7334 6705 1 1 1 1 1 1 1 1 1 1 1 1 9759 9831 11101 1 1 1 1 1 1 44916 45643 49537 33227 35558 35188 14430 14037 13342 17672 16854 16646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *373.0569*@4.6293335 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16273 15315 16506 11638 12145 13096 1 1 1 5839 5696 5248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *181.0191*@4.6297 raw intensity 1 1 1 1 1 2433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33627 31578 37155 1 1 25929 9917 1 9552 13282 12374 11061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *524.0485*@4.6340003 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5187 5872 6774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *312.0763*@4.63225 raw intensity 1 1 1 29433 34048 32117 1 1 1 1 1 1 1 1 1 1 1 1 46223 44662 46389 1 9877 11457 1 1 1 183371 184621 195873 134241 130310 140838 55329 56366 53048 70973 70935 67465 1 1 1 1 1 1 1 1 1 1 1 1 12906 12667 13053 1 1 1 1 1 1 1 4722 1 *375.0715*@4.6336427 raw intensity 1 1 1 10798 11990 11630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63784 61087 65768 43498 44867 46346 19424 18217 1 21514 22640 20829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *183.0343*@4.63375 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42186 1 47501 1 1 33186 15697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *526.0625*@4.6342497 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15196 16454 9497 9450 10517 1 1 1 7370 8843 9424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *450.1558*@4.6533 raw intensity 4373 1 4102 1 7375 1 1 1 1 1 1 1 1 1 1 1 1 1 8621 8998 1 4343 4789 1 1 1 1 5141 1 5049 4831 4763 5109 1 1 1 5064 1 1 4581 5230 4774 1 1 1 1 1 1 1 1 1 4144 3879 1 1 1 1 1 1 1 4177 4072 1 C25 H40 N2 O S2 raw intensity 8253 9628 8139 5272 5838 5264 6402 6499 1 1 3794 1 7282 7820 7802 5644 5307 5997 18339 18044 16873 12253 12124 10351 8410 7308 7847 9061 9161 9218 11448 12757 12411 3501 1 1 9121 10282 8015 9767 8537 10238 11528 10681 12624 6505 6450 6387 4521 4699 3900 1 2680 1 11217 10123 9146 1 1 1 1 1 1 *499.1471*@5.066 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23553 27980 31189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *447.2975*@5.1283746 raw intensity 9012 8997 7473 1 1 1 14705 14681 14388 1 1 1 1 1 1 1 1 5054 8841 9273 10072 6346 1 1 9244 8888 8211 8235 8440 8600 12098 11873 12485 7134 8157 7466 1 1 1 1 1 1 1 1 1 9219 8959 9323 1 1 1 1 1 1 1 1 1 7306 8102 7444 7623 8494 9283 C24 H45 Cl N4 O4 raw intensity 31566 28738 30427 32883 33326 27892 26948 28575 27455 21108 24762 21369 24940 23722 24669 23695 26247 26515 46645 49212 53373 42894 45543 51410 44640 48972 51684 62549 62888 69365 56810 64437 59325 26446 26062 22900 27070 28130 28126 26747 24210 28247 22620 22368 23964 29001 25945 25440 28674 24393 24880 30809 24769 26364 69233 67015 63828 28437 25556 24405 24016 30903 33755 C29 H54 S3 raw intensity 1 6315 1 6097 1 1 4134 1 1 1 1 1 1 1 1 1 1 1 5832 5728 5677 5092 1 4855 5910 1 1 6095 4166 6702 5851 5772 1 1 7616 5947 1 5727 4700 1 1 1 1 1 1 6215 1 7073 5116 1 1 4255 1 1 11888 12191 11540 1 1 1 1 4646 5035 C23 H49 N O11 raw intensity 60153 53900 58481 55380 58558 58073 46627 45786 41131 42795 40633 40491 42503 44878 45380 33440 34224 37799 64221 65389 68710 63088 62944 69309 67934 68267 69468 92469 92837 95769 76483 81760 83312 51390 48070 50607 39823 39611 40409 37217 37704 39919 29508 26853 29994 37414 35345 36230 45401 43518 41320 48040 42789 43917 123737 118216 121039 31616 33600 33757 41343 46042 45040 Androsterone glucuronide raw intensity 18513 18828 18750 7314 7686 6686 9422 10574 11384 5936 6271 5970 1 1 1 8452 8116 7871 18881 18226 18129 1 1 1 6050 1 6563 13611 13372 13873 13080 13767 12780 7902 7324 6535 19702 17124 17800 8290 9587 10545 10682 12215 11528 5296 5091 4979 1 1 1 1 1 1 1 5052 1 16356 17238 15473 13227 13915 14546 *222.1015*@5.3397784 raw intensity 33018 31318 32955 33418 32043 32975 27497 27244 26523 41478 42951 41790 22823 22563 23913 47372 48919 50115 31241 31670 32208 17314 16928 18042 30116 29091 30444 32034 32681 31390 42808 44189 44186 19526 20392 20023 39756 39120 37789 36963 37303 38622 30234 30976 32579 33365 32330 32832 28556 28467 27751 43453 43448 42893 17654 18116 17070 29991 29123 31123 30072 30319 31557 *469.1357*@5.3416667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37172 35429 35934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *224.1165*@5.369412 raw intensity 33189 34379 33885 24940 25367 22782 30344 29800 30407 49663 49906 50407 31710 31326 31875 35261 36268 36626 34362 36693 36603 23242 22170 25040 36837 36585 37100 57042 57284 59709 72482 73253 72577 25290 26068 25758 53251 52879 54476 35547 35910 35250 37522 36233 37482 36084 34093 32171 25938 28863 29167 57105 57796 57918 30400 29965 30691 36359 37831 38389 46722 47748 49440 *498.283*@5.4121666 raw intensity 1 1 1 1 5010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 1 1 1 1 1 5827 8343 7701 3308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8612 8989 9142 7735 9592 9724 *449.3128*@5.466 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 5452 5788 4156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *510.2845*@5.5881 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3674 1 1 1 1 1 1 1 1 5033 4865 5160 1 1 1 1 1 1 1 1 1 1 1 1 1 6154 6279 1 1 1 8848 9318 9156 1 1 1 1 1 1 1 1 1 1 6477 1 *500.2988*@5.5936093 raw intensity 1 1 1 5384 1 5779 1 3569 1 1 1 1 1 1 1 1 1 1 4431 1 4297 1 1 1 1 3697 1 7035 7289 8322 1 1 1 1 1 1 10362 11579 11155 11277 11766 11178 8859 9426 1 1 1 1 1 1 1 1 1 1 1 1 1 10214 10605 11128 5921 6633 6939 Glycoursodeoxycholic acid raw intensity 86522 87554 85653 1 1 1 61019 62536 62113 9449 8853 9009 26034 26573 25675 101007 102177 104323 31522 31701 32751 16790 15328 16820 47974 48153 49317 115565 110880 112560 49588 48998 49593 14961 14858 14104 39575 38258 37382 67546 67641 68657 254465 252253 257316 9790 9939 10606 69403 69354 69063 59048 59892 58192 127655 126192 125097 18471 18156 18472 142918 149493 150671 Trp Phe raw intensity 5710 6413 6102 8294 7666 1 10756 10520 10236 11667 10892 11331 5059 4475 4985 1 6652 6384 9090 8897 8962 6520 6383 6563 15122 14977 15448 10205 10375 9677 6563 7176 6349 1 1 1 9658 9919 8915 10737 10966 10602 11672 11792 11370 22835 23840 22144 10464 11443 10621 11590 12339 11891 6251 5099 6039 1 1 1 4043 1 1 *485.1297*@5.711 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8694 9373 10808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *449.3123*@5.8215914 raw intensity 26512 25103 24579 1 1 1 12028 11952 12294 3959 1 1 7811 6804 7885 26209 26090 25227 17839 16903 16827 17631 19240 18905 34693 34175 34299 25327 23644 27423 18770 19042 17724 6756 6812 6979 2784 1 1 1 1 1 1 1 1 17524 19016 18459 1 1 1 4795 4761 5304 1 1 1 8423 7843 8303 30518 33352 32932 *270.1569*@5.9608994 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7472 6882 7190 1 1 1 5955 1 1 6785 1 7113 8235 8723 7580 4620 5989 4664 9455 8955 10829 1 1 5104 1 1 4739 1 1 1 1 1 1 1 1 1 1 1 1 8770 7156 7876 1 1 1 Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl raw intensity 24460 24338 25209 1 1 1 9610 1 1 1 1 1 22175 20842 22545 38207 38121 38851 23019 24404 23908 32804 33750 36891 73262 78958 76827 1 10300 10569 50832 56304 55033 40992 35302 37475 7116 6348 1 38871 7633 38782 93347 100988 8787 14496 15140 1 30631 31664 19829 26502 26021 27943 6531 8959 1 54454 51932 52510 107340 105035 103534 *469.136*@6.052 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11453 11051 10230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *463.1832*@6.081084 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 3348 3872 1 1 1 1 1 1 4608 1 1 9343 9082 8493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5857 1 5698 5955 6634 6594 *332.0977*@6.204429 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6676 7207 6754 6489 6089 1 8988 8594 6127 5554 5461 1 1 5981 1 1 1 1 1 1 1 1 1 1 1 1 1 6364 1 1 1 1 1 1 1 1 1 1 1 16232 1 19909 1 1 *264.1097*@6.2039843 raw intensity 47638 45578 47723 19898 20436 21944 47437 46416 46264 22962 21864 23169 26934 26306 27233 79126 79688 82425 137661 135348 139406 107690 108930 110859 181676 186717 190837 103704 101542 103783 108118 106399 110486 67960 68482 66169 83987 85491 82767 40709 43322 42992 48657 49396 50871 177853 178902 183263 55271 52288 54106 43237 41568 41586 79191 79921 79915 193240 195936 183655 214350 214754 225000 *628.4139*@6.211889 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6293 5082 6792 5282 5607 6254 6346 7516 7456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *302.0082*@6.376541 raw intensity 1 1 1 17986 1 1 1 1 1 1 1 1 1 1 18176 1 17085 19266 13861 17447 14828 15066 17816 1 1 19463 1 16383 15083 16094 15750 18667 15354 20019 13622 17908 1 1 1 1 1 1 19724 16287 12830 1 1 1 1 14395 13987 1 1 1 1 1 1 1 1 1 1 1 1 *768.4333*@6.3693333 raw intensity 1 1 1 3522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6418 5887 6386 1 1 1 1 1 1 4474 1 4388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4960 5259 5679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *399.957*@6.38075 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7424 7751 1 1 1 1 1 1 6626 1 1 1 7909 1 1 1 1 6883 6415 1 1 1 1 6987 6980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *671.9089*@6.381385 raw intensity 1 1 1 1 1 1 1 1 1 1 1 4081 1 3191 1 4556 1 1 1 1 1 1 1 1 1 1 3659 1 1 4848 1 4926 5270 1 1 1 1 1 4070 1 1 1 3599 4017 1 1 1 1 1 1 1 3885 1 1 1 1 1 1 1 1 1 4094 4025 *1927.6667*@6.3815103 raw intensity 4854 5344 5019 4783 1 1 1 4213 4962 5781 6148 5997 4523 4871 5388 5294 5944 5952 6121 6122 5978 3975 4405 1 5169 5038 4907 6381 5713 6410 6208 6210 6451 6507 6202 5910 6455 6303 6668 6923 6643 7313 5087 5996 5612 1 6175 7151 6956 7371 5866 6101 5551 5132 1 1 1 6573 6416 6880 5926 1 1 *725.8793*@6.380834 raw intensity 37695 37716 1 1 36963 36360 33392 33739 34270 46164 46804 46977 1 1 1 47359 48115 49560 1 1 1 1 35925 1 1 1 44041 50484 1 51937 48596 1 1 1 48359 48362 49853 47795 49131 52098 53790 53662 1 47781 48471 1 48055 1 1 49021 1 1 1 47455 1 32177 1 47136 47028 1 46280 1 43883 *657.8916*@6.381034 raw intensity 44817 44826 43592 44249 42980 44420 38963 37539 39044 57883 58941 57921 43847 43765 41559 71647 72289 71866 72014 71068 72597 51848 50179 52617 64170 63126 64581 74218 75095 77166 73741 73648 74261 60316 59917 64193 61018 61424 60379 64837 65173 65508 56794 57005 58715 57561 60613 61485 62678 60825 58979 57093 55677 55049 37714 1 1 58298 57572 55981 53757 66491 65310 *181.98*@6.3806844 raw intensity 224995 216750 232059 224871 218905 223958 205687 200391 205598 257000 258879 259163 214832 214676 214315 245633 240440 239001 229349 232667 230592 175460 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intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323637 317344 322549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *507.1126*@7.072 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18916 20700 21036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *992.2456*@7.074 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *228.9667*@7.0974445 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14173 14415 15262 1 1 1 1 1 1 13944 13275 14814 21704 21376 22212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *214.0161*@7.0957146 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29061 1 17315 1 1 1 1 1 33676 1 38986 51152 53136 51689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *303.0062*@7.0966663 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4449 5594 5195 6296 6203 5675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *280.0658*@7.096778 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14188 15140 15558 1 1 1 1 1 1 11438 11203 11469 18934 19517 19386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *361.2457*@7.342615 raw intensity 7025 6495 6409 4192 4147 1 11173 10972 10556 1 1 1 6145 1 5583 3612 1 3430 10002 10709 10265 5499 5005 4723 7707 7935 7991 13635 12904 13800 6667 6313 7146 4409 4318 4922 9401 8370 8925 3577 1 1 4440 1 4822 17345 16062 16832 1 3972 1 5996 5540 5588 7725 7576 7160 7246 6649 7107 7844 8682 8198 Lys Arg Gly raw intensity 4598 1 1 1 1 1 8178 8422 7766 1 1 1 1 1 1 1 1 1 9017 9048 9113 1 1 1 1 5133 5155 7215 6704 7495 5115 1 5401 1 1 1 7885 8111 7327 1 1 3862 1 3910 1 4540 1 4888 1 1 1 4095 1 1 7753 6854 6819 6328 6365 7013 8529 7875 7357 *303.053*@7.5644155 raw intensity 86271 87877 87560 162689 166789 166105 123750 126194 125569 80105 80866 79058 262407 268275 272479 84442 64112 48569 12438 1 1 19250 17258 18216 15770 14701 11713 21261 19442 15976 1 1 1 314208 332793 337563 161185 155489 161480 318894 320069 322293 310634 308965 307644 511934 509846 511225 89639 91016 85007 515778 518047 516691 213416 224761 225347 292183 286866 281503 419415 174681 120483 C13 H23 N11 raw intensity 1 1 3911 1 1 1 4936 4781 5387 1 1 1 1 1 1 1 1 1 6399 5863 6052 1 1 1 1 3901 3875 7534 7245 7747 3529 3481 3677 1 1 1 5324 5370 5180 1 1 1 1 1 1 8184 8439 8059 1 1 1 1 1 1 4083 3977 1 1 1 1 4700 4527 1 *331.1991*@7.733999 raw intensity 7057 7578 1 6177 6386 5963 6147 7003 6219 1 1 3920 1 1 1 1 1 3965 13130 13079 12998 5316 5813 6378 1 1 1 12372 11495 10968 13873 14431 13788 6278 5952 5636 15327 14926 14042 1 9636 9680 7454 8159 1 9413 9261 8646 1 1 1 1 1 4382 15393 15928 15000 20776 22682 21268 17646 18272 18267 *613.3388*@7.8468246 raw intensity 1 3817 3767 1 1 1 16476 16214 15066 1 1 30719 19707 21854 19592 16823 16540 17428 12571 12638 8786 16027 14875 16575 25831 24890 28973 7008 7058 9857 1 1 5353 29009 1 1 6336 6389 4718 6087 6923 4483 1 5428 1 5319 1 1 1 1 1 24395 23665 26030 9679 16452 15296 1 1 1 1 1 1 *589.337*@7.8096304 raw intensity 33557 30631 34790 42704 37561 41382 14286 14079 14307 32000 31646 26433 16442 16935 13863 11806 11680 10680 66601 73733 72235 14114 18881 18135 17649 23416 25097 74000 68548 75376 42379 51042 54902 27789 26841 25960 52013 39100 54761 61358 64320 1 46251 50079 51702 37493 36020 32730 31892 29379 32264 20248 20047 20580 95269 163778 157679 58148 54813 55758 31465 32322 35306 *569.3674*@7.8339815 raw intensity 27575 1 25468 1 41065 1 8774 9951 44292 5656 5768 1 8689 9616 10363 1 1 1 52294 49743 50226 156724 23616 22181 12163 80352 75904 278782 38652 39478 27597 29835 28712 10002 1 9093 31784 34020 31008 29517 32244 30708 36286 34635 33922 14853 1 14809 15299 16413 16940 9700 9208 1 249450 1713608 1980002 24483 23454 23532 10127 10977 9641 *567.3524*@7.8561015 raw intensity 1 76289 1 133848 97865 133936 1 1 44445 27972 287714 310639 358090 27750 28436 23265 26102 21742 99486 103319 107488 58088 35777 31867 40931 54387 53791 1 112693 119524 1 80658 79199 1 47899 1 74583 77369 78202 112018 104933 1 1 92261 85031 48954 60567 47242 57999 62476 63844 43368 38536 47206 313478 1 1 70451 72168 1 39789 42381 1 C33 H37 N11 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6017 6100 5490 1 1 1 1 1 1 1 5559 5061 10285 3771 4410 1 1 1 10058 10205 10396 1 1 1 3710 3998 1 1 1 3754 8041 7962 7787 11828 11821 11271 8478 9011 8856 5171 1 4872 1 1 11563 11604 1 12357 C24 H53 N5 O5 S2 raw intensity 1 1 1 6087 5482 6623 1 17297 14692 9736 11445 10150 15492 14401 14740 7872 9033 9219 6689 7811 6916 1 1 1 22966 20422 22960 8376 9507 8585 1 5327 5475 18540 18799 21047 4822 4880 5880 5379 1 4945 6020 7067 1 1 1 1 1 1 1 18335 16234 16411 1 17946 19771 1 1 1 1 16813 18832 *633.3235*@7.9387774 raw intensity 4300 4112 1 1 8033 1 4220 4906 4034 1 1 1 1 1 1 5804 5818 5399 1 1 3514 7328 5332 5261 1 7374 7311 1 1 4115 1 1 1 1 1 1 7790 7529 7771 1 1 1 1 1 1 1 3757 1 5580 1 5646 1 4980 5019 1 1 1 7031 6263 1 4111 1 1 *565.3371*@7.9031157 raw intensity 148568 100330 98001 227636 230014 217794 80777 79890 83847 81985 108935 80499 78685 488428 50533 38453 38560 39071 204616 195163 192648 66860 69160 69976 84150 82094 84878 365565 236825 243252 238487 155661 167843 120702 78873 108920 192653 193025 189804 288785 1 405953 290022 200889 201142 84059 84327 84203 118847 117895 116790 98547 95030 98746 420040 419525 410797 147549 142986 207876 79163 87480 131368 *1060.6655*@7.9986258 raw intensity 1 1 1 1 1 1 24712 25251 26261 18658 18385 18911 18357 17586 17740 8281 9574 1 1 1 1 1 1 1 1 1 1 1 1 4109 1 1 1 1 1 1 1 1 1 1 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 12828 12184 12424 1 1 1 1 1 1 C25 H52 Cl N7 O6 S raw intensity 52612 51569 49066 52005 45649 48639 1 1 1 33448 32200 1 1 1 1 1 1 1 111649 111453 113910 1 1 1 1 1 1 87457 106146 103775 60080 67435 64907 1 32330 33313 65320 61218 68511 80313 82609 75200 62190 66048 70491 39465 41446 46034 40941 40601 37181 1 1 1 189900 160701 159350 52853 57572 56727 32181 32131 33714 *609.3247*@7.939918 raw intensity 10577 9928 9181 13781 12242 13287 5734 32021 6113 4555 24424 5180 5577 5023 5519 13318 11618 12155 7883 7188 1 6053 5900 6519 20450 3732 3568 1 6687 6605 5044 4879 4966 6325 6453 6455 12968 12083 12255 14014 13005 13633 14501 13426 13679 13566 12252 13454 10338 9115 8471 7520 6842 7058 24292 25467 25689 11675 11504 11054 7544 22808 21597 *541.3371*@7.9327717 raw intensity 279886 286968 279988 390028 387332 393534 147953 1182009 1 972563 117011 979231 128369 125543 128888 97672 97708 830487 463286 455174 450595 306167 309957 310640 218476 218969 220856 452019 462884 461779 327914 333775 335226 156867 155396 154742 372895 376293 381915 1 359810 362091 399356 390379 384680 308774 305656 316346 239841 236194 236870 159633 160417 158435 1085703 1048978 1055079 308373 303942 297336 154993 167938 163851 *1036.6677*@7.9695454 raw intensity 1 1 1 1 1 1 1 1 1 23904 1 1 1 1 1 12380 12367 12138 4934 4504 4560 1 1 1 1 1 1 1 4394 3963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18345 1 18081 1 1 1 1 1 1 *1084.6667*@7.987549 raw intensity 13171 17092 14670 1 1 3953 10399 7588 10580 9970 9969 9366 4115 3920 1 1 1 1 7198 8493 8481 4026 6476 5660 8584 10821 8456 6577 7834 7407 1 4930 4436 13152 12520 12507 4991 4730 4817 6366 6403 8115 5643 5051 5091 6915 10532 6501 15843 1 1 16294 16147 17077 1 1 1 5744 4963 4394 12239 13383 10647 *593.3645*@7.940586 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15147 16851 4688 4790 1 1 1 1 16609 16351 15913 10754 10662 11075 4541 4719 4411 12907 13364 1 14185 14930 14978 14100 1 14013 1 1 1 7432 1 7377 4638 1 1 1 1 5615 9256 9381 9397 4116 1 4527 *1132.6678*@7.9459167 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7731 1 1 1 1 1 1 1 7798 6323 7678 1 1 1 1 1 1 1 1 1 6040 1 5256 1 1 1 1 1 1 1 1 1 1 1 1 17443 26772 24029 5649 5037 4571 1 1 1 C37 H52 Cl N O5 S raw intensity 8973 1 8516 9379 9210 8947 1 1 1 8141 7645 7713 1 4655 4840 1 1 1 7270 7010 6181 1 1 1 1 1 1 6981 6420 6284 5499 6176 5460 8921 8230 7897 14576 14103 15134 15332 15663 16697 13853 14519 13470 8970 9272 9001 9067 7334 9577 6463 6271 6891 22858 21419 19702 16776 16835 16455 12733 5784 4856 C30 H52 Cl N O8 raw intensity 311892 306661 290838 396537 390341 393919 1 1 1 233281 245835 237500 1 1 1 1 1 1 649918 641661 624044 1 1 1 1 1 223843 646460 649436 649552 509464 506575 511329 262930 266537 268860 520075 519067 531366 586169 596704 625013 509800 509790 494860 289356 285877 272291 312465 305311 308970 1 1 1 1271884 1164432 1178682 523301 546002 535262 296140 306826 303313 *408.1754*@7.994385 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 6382 1 1 9385 10215 9491 7782 18047 1 1 1 7840 1 1 1 11730 1 12158 1 1 1 1 1 1 1 1 1 1 1 1 8082 1 1 1 1 1 1 9330 1 1 1 1 1 1 1 1 1 1 1 5790 12792 *1112.695*@7.9544997 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9875 1 1 1 1 1 1 1 1 1 1 9388 1 1 1 1 1 1 1 1 1 1 1 1 6335 1 1 1 1 1 1 1 1 1 1 1 1 75757 1 1 1 1 1 1 1 *539.3214*@7.971653 raw intensity 1 15030 14325 16295 16604 16812 9155 8630 10211 10358 10541 10664 7903 6943 7664 6707 66995 7098 21445 22895 22823 1 10778 10858 14888 14013 14322 22968 22304 22029 16945 16416 15179 8847 9125 8143 15141 17430 17528 20427 19120 18538 1 1 18318 20258 20850 20411 1 14436 16338 11568 11242 12365 34660 32347 35864 1 16521 15923 1 1 11232 *567.353*@7.9746027 raw intensity 609033 609408 644684 1153042 1164814 1013603 390272 390925 1 1 1 1 1 1 1 1 1 1 1281454 1185240 932434 1 1 454338 457090 376267 382982 878512 1180281 1132744 949406 948470 859085 429803 433434 418480 948883 817676 808886 1060988 1258653 1042605 1110662 908369 993865 501125 502085 409496 686829 525173 671970 402171 443552 446023 4931706 2876148 2462192 675073 839255 761028 1 377118 386907 *1108.6692*@7.9634995 raw intensity 1 1 1 1 11720 1 1 1 1 1 1 1 1 1 1 1 1 1 8372 1 1 1 1 1 1 1 1 1 10752 10283 1 1 1 1 1 1 1 1 5652 1 9398 12783 7914 1 12958 1 1 1 1 1 1 1 1 1 7886 5768 6000 1 1 1 1 1 1 *1088.6975*@7.9782596 raw intensity 1 1 1 17288 18700 20004 1 1 1 1 1 1 1 1 1 1 1 1 20858 18840 20957 1 1 1 3238 1 1 1 24367 24197 12012 12303 12588 1 1 1 12267 13298 13530 21356 21332 20662 1 16388 16666 1 1 1 7216 7686 7885 1 1 1 236043 1 114079 1 10558 10516 1 1 1 C27 H49 N3 O3 S2 raw intensity 4474 3934 4002 1 2957 4122 15450 15104 15788 18587 18899 18301 15577 14721 16168 13184 14284 14658 5119 5438 5030 3819 1 1 1 1 3718 7200 6416 6326 3771 1 1 19398 20292 1 1 4293 4221 1 3408 1 1 3847 3920 5678 4969 5045 3490 1 3438 1 1 1 10629 8075 8353 3438 1 3356 20330 1 20641 *587.3221*@7.994394 raw intensity 1 1 1 14633 15038 15208 1 1 1 1 1 1 1 1 1 1 1 1 24741 26219 27473 1 1 1 1 1 1 37178 37931 36651 21074 21622 22529 1 1 1 22178 21855 21991 35592 35818 32840 30996 30171 32834 1 1 1 1 1 1 1 1 1 44455 44152 40624 22491 18629 21565 1 12838 1 C25 H49 N9 O S2 raw intensity 34117 30034 32716 44776 1 43904 1 1 1 1 1 1 1 1 1 1 1 1 48033 48537 52621 33521 36358 35474 1 1 1 62347 67537 62732 43091 41365 39880 1 1 1 41875 40984 39291 40286 38977 39131 52198 50980 53795 26523 1 23931 26161 24649 1 1 1 1 142295 149547 151645 31652 33529 30807 1 1 1 *1086.6802*@8.002545 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21071 1 1 1 1 1 1 1 1 53494 1 27881 1 1 15663 1 1 1 1 18169 1 1 1 1 41529 1 1 1 1 1 9110 1 1 1 1 1 1 165795 1 22441 13693 1 1 1 7680 *582.3307*@8.023251 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4095 4170 4007 1 1 1 1 1 1 1 1 1 1 3195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1135.2828*@8.024 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *633.325*@8.025398 raw intensity 23296 20140 20370 36771 38592 37846 19348 18810 19595 18345 18227 18402 14542 13127 13413 1 1 1 16062 14861 15298 1 1 1 8340 1 1 16452 16064 16122 12344 11484 11983 18265 19957 20614 36652 33065 37835 56920 53085 54030 40260 40563 39389 17701 17773 17547 26729 27564 27213 24886 26004 25204 54533 53406 53352 32208 31619 31211 29931 12727 12487 *1084.6687*@8.023793 raw intensity 1 1 1 55017 57664 64864 1 1 1 1 1 1 1 1 1 1 1 1 32916 44855 46479 1 1 1 1 1 1 47706 67874 47552 35015 40702 26242 1 1 1 47607 34728 46044 102513 102883 90864 41871 55549 61847 1 1 1 1 24568 21823 1 1 1 173271 109318 200684 23770 22942 35134 1 1 1 *565.3381*@8.027456 raw intensity 769022 844730 843951 1924605 1909891 2078505 1 1 1 1 1 1 1 1 1 1 1 1 1704922 1792959 1711378 1 1 1 1 750310 760685 2341632 2304807 2294981 1449185 1446111 1473678 756433 756752 754600 1661410 1839233 1803623 2747027 2625568 2638364 1907131 2110958 2021447 1 1 1 1069865 1168542 1060225 850833 843076 855226 3431916 3658666 3850251 1325103 1319765 1359639 785407 886469 808377 *1131.2681*@8.0295 raw intensity 1 1 1 1 1 12670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15226 1 16243 1 1 1 1 1 1 1 1 1 20137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *579.3527*@8.0269 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4327 4293 4497 1 1 1 1 1 1 1 1 1 4997 5929 4875 1 3868 1 1 1 1 1 1 1 1 1 1 7721 8050 9920 1 1 1 1 1 1 *553.3374*@8.031681 raw intensity 6171 7661 7248 9375 52813 9217 3795 1 1 1 1 1 1 1 3316 1 1 1 12136 11632 11807 1 1 1 5960 5163 6420 18150 17526 17524 10501 11335 10866 6175 5191 5961 9901 9994 8475 12687 13070 12514 14135 13121 13647 8131 7652 7374 8909 8384 34292 5495 5588 5628 26058 22851 26350 7774 7654 8760 20847 5146 4924 *1060.669*@8.035943 raw intensity 54929 55218 54228 142358 144864 142237 1 1 1 1 1 1 1 1 1 1 1 8712 147259 145505 146894 36840 37329 37493 39113 40157 39042 177503 175312 171474 101667 99243 101058 32768 31415 31358 126901 130216 121523 173121 169548 169857 152554 143075 143653 46050 46370 45276 60726 61020 58747 33635 33106 34182 593261 584171 588299 90020 89682 88080 31102 35467 33503 *567.0477*@8.037 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *525.3408*@8.033999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11286 3921 4827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24450 9403 24312 1 1 1 1 1 1 *541.7489*@8.042 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6735 1 1 1 1 1 1 1 7472 1 1 1 1 1 14847 1 1 1 1 1 1 6452 1 1 1 1 1 1 1 1 1 1 1 1 C26 H39 N7 O4 raw intensity 7327 7588 7411 1 7057 6507 1 1 1 4201 1 4574 1 1 1 1 3091 1 1 7066 1 1 5915 1 6151 6219 7089 8439 8652 8313 1 1 1 27398 1 1 7743 7627 7563 5946 1 1 1 1 5788 10153 10242 8997 6641 5451 5800 1 1 1 1 11917 1 1 1 1 1 1 1 *1088.0013*@8.044 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GPEtn(18:0/0:0) raw intensity 1 1 1 1 3829 3843 1 1 1 1 1 1 1 1 1 1 1 1 5388 5349 5198 1 3541 1 1 1 1 5482 5456 6467 3558 4176 4034 1 1 1 4279 4291 4589 4180 4987 4010 5280 5383 4956 1 2919 3826 1 1 1 1 1 1 18683 18284 16962 4368 4091 3847 1 1 1 *541.3379*@8.046335 raw intensity 2370069 2342085 2356557 3148819 3070199 3147472 1 1 1275771 1 1 1 1 1 1 1 1 1 3619695 3520638 3661225 2460741 2450416 2467614 1821082 1809898 1840176 3660169 3641697 3341363 2785119 2817190 2813793 1364728 1370831 1372503 3068732 3048457 2998582 3282281 3004928 2983478 3398150 3383618 3372270 2374606 2383870 2366106 2005550 2009174 1920221 1 1291798 1297858 8322888 8294526 8320258 2596041 2579459 2545033 1281463 1397055 1404219 *541.6294*@8.046154 raw intensity 1 1 15684 1 1 20286 1 1 1 1 1 1 1 4902 1 1 1 1 34109 1 1 1 14366 1 8408 9457 1 1 31035 31773 24382 1 19495 1 5595 1 24027 25049 21842 1 1 23343 1 30125 28340 13644 15901 15843 1 1 11404 5750 1 1 128056 118361 121485 1 1 1 1 1 1 *541.8187*@8.042749 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13045 20962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5767 1 1 1 1 1 1 1 41221 1 1 1 1 1 1 1 *1036.6663*@8.047142 raw intensity 84183 87421 89423 136563 134878 127657 1 29240 34179 1 1 1 30464 31638 34454 1 1 1 163603 160906 159154 86345 86133 87321 48836 50511 49899 154063 155509 153324 99145 99152 100029 36378 34361 36231 132190 127822 124455 110321 112536 114155 157099 146871 141789 83347 86647 93035 65628 67069 67894 34756 33598 32648 753163 755639 745549 97976 98382 99065 50734 34687 32430 *541.9047*@8.048 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H50 N10 O2 S3 raw intensity 1 1 3829 7681 6842 1 1 1 1 1 1 1 1 1 1 1 1 1 8918 8988 7605 5569 6079 5431 1 1 1 8911 10996 10753 8428 7912 8320 1 1 1 4806 5730 5548 1 1 6614 6212 5571 6236 1 5659 4479 1 4076 1 1 1 1 12529 1 1 5249 5342 4682 1 1 1 C26 H46 Cl N3 O6 raw intensity 6627 7792 7364 8320 7881 8698 4484 1 1 1 1 1 1 1 4292 1 1 1 10269 9520 10563 10272 10296 10269 7498 7715 8223 12256 12257 13295 10307 10015 9447 5318 4661 4577 9121 8433 8162 8046 7142 6560 8107 8032 8335 6686 6863 7317 5858 5179 5782 1 1 1 15093 15557 16825 6072 6970 6681 1 1 1 C30 H48 Cl N5 O7 S2 raw intensity 7798 7283 6610 7199 7810 1 1 1 1 1 1 1 1 1 1 1 1 1 8438 8392 9582 7192 6759 7782 5346 1 1 8666 8937 9038 8153 7342 7549 1 1 1 7571 6004 1 1 6759 6009 7023 6843 6789 1 6117 5483 4672 1 1 1 1 1 12758 13351 12187 1 1 5772 1 1 1 *563.3217*@8.062792 raw intensity 16921 20446 20110 23736 23310 23775 10858 10770 11145 14233 14133 42261 7753 8213 40515 7292 6897 7478 70082 32789 67704 6034 5510 1 16374 14330 14138 72386 42559 73057 60011 30718 53808 18453 18105 17410 26698 27322 25268 118679 115234 48504 42894 43468 118178 10585 10370 10671 24339 24648 22871 17075 15990 14986 189315 51382 46729 87471 26127 25731 18700 19508 21698 *1058.65*@8.05345 raw intensity 1 1 7050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9667 8995 1 1 1 1 1 1 1 10762 10023 5268 1 1 1 1 1 1 10886 10512 10732 12460 13105 12776 13561 1 1 1 1 1 6297 6815 1 1 1 1 35368 35164 15137 1 9513 9567 1 1 1 *1034.6528*@8.071666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10942 11080 11082 1 1 1 1 1 1 10125 10082 9835 6039 5579 5877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40719 38064 43821 1 1 1 1 1 1 C28 H41 N7 O4 raw intensity 140497 136554 141171 160136 162814 161561 79622 80754 79411 91963 92925 94225 69590 71225 69806 1 1 1 221384 219773 216831 94708 92432 92564 132611 131527 131097 211528 219017 217970 157897 158987 161753 81381 79958 82432 168138 169180 165695 185573 184922 184430 178446 177377 173567 179177 180091 181602 154364 150609 144606 101815 105959 102837 410137 414246 412034 162510 157250 152786 107940 107743 109670 C20 H41 N13 O2 S raw intensity 39771 40584 40162 38402 37164 37238 1 1 1 1 1 1 1 1 1 1 1 1 52609 53210 53427 36670 36611 37248 30699 31260 31185 67159 65587 67704 39256 40524 39628 1 1 21004 47070 47702 47610 33706 34422 33854 46917 47269 46556 46364 46985 46127 36568 35649 36222 25259 24474 23871 111376 111416 110669 35155 35638 33266 1 20952 1 *553.3718*@8.133927 raw intensity 10377 9389 9043 14641 16364 14490 3970 4327 3660 1 1 1 5292 6258 6201 1 1 1 18433 17944 13643 6221 6141 6401 6713 6408 7107 18835 18787 19537 12991 12345 12541 4676 1 5048 15755 14545 14605 12200 11623 11269 14812 14661 14876 6783 7234 6952 9163 9774 10332 6578 5951 5939 61653 72553 66098 12490 11617 12380 4107 4157 4455 C25 H43 N3 O8 raw intensity 83082 86139 87298 73526 71218 70089 31392 32365 33032 42718 44818 42690 32797 33590 32975 31424 31317 32987 89196 85390 86779 68429 68208 66921 79573 80561 80400 105559 101783 101839 62672 62948 61211 1 29741 30200 93506 90197 92144 66888 72948 73176 86624 87031 81435 104837 103244 104808 71507 66101 66701 49742 47489 43345 199348 194868 198525 58175 60462 57957 31753 34224 32407 C24 H49 N9 S2 raw intensity 15883 15756 15110 18413 17904 18857 3888 3358 3760 3456 4120 4147 6177 5938 6387 1 1 1 23383 22966 23264 13336 13652 13665 8024 7755 8071 25610 25032 27919 17783 17792 18738 5733 6328 5309 19900 21818 20353 13197 14282 13602 17987 18725 18421 10993 10451 10936 12115 11687 11551 7412 7806 7533 78930 76076 76969 14258 15558 13425 5202 4872 4691 *605.3327*@8.20145 raw intensity 1 6278 6634 1 1 1 1 1 1 1 1 1 5012 1 1 1 1 1 11156 12191 12298 1 1 1 8608 6534 8530 8108 8180 5586 12389 12244 9238 1 1 1 8496 10549 4979 1 1 1 1 7027 6511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *557.3315*@8.247718 raw intensity 7462 7302 1 10925 13125 11730 4574 4173 4491 3751 3410 1 1 5067 4303 1 1 1 12355 12936 12531 7226 7336 6468 5211 4736 4784 17874 18281 18625 9996 11844 10473 5863 5685 6485 14551 13086 11065 11873 12304 11503 11837 13125 12769 8640 9265 8922 9489 9429 10850 6162 5924 5565 35140 34494 33475 13882 14357 12660 7064 6699 6609 *585.3629*@8.301134 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6990 6469 7415 1 1 1 1 1 1 1 5493 5400 5183 4915 5232 1 1 1 7762 7667 7187 1 1 1 1 1 4597 1 1 1 1 1 1 1 1 1 7205 7607 7207 1 1 1 1 1 1 *349.2085*@8.306722 raw intensity 1 1 1 1 1 1 5755 5714 5252 1 1 1 1 1 3641 1 3924 1 1 1 4497 3931 1 1 5786 5957 6410 1 1 3881 3544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4068 4085 1 2917 1 5852 6735 6176 *581.3318*@8.3156805 raw intensity 12564 12666 12322 18625 16972 19458 11053 11701 10423 1 1 1 10444 10677 9445 1 1 5583 23750 23257 19183 10054 10133 10895 16647 18402 18380 10860 11290 12198 22047 17734 22416 7198 1 7599 20247 17463 17350 13498 16290 15822 16274 18168 17892 1 1 1 1 14008 13564 15378 16546 15488 16883 15967 15347 1 1 1 1 1 1 C27 H47 N3 O9 raw intensity 26242 25234 22437 31446 30439 31404 15853 16616 16132 13258 12878 14068 23681 23259 22813 20683 20767 21100 45156 44274 43828 17051 15732 16689 13230 12936 12977 43198 43334 41639 48568 48132 51350 25316 25419 23380 55108 52225 52697 33394 33449 32396 28645 27563 28079 21754 20844 20119 44685 43454 44222 25703 25574 24627 47231 45669 46156 30522 29631 31931 18759 20321 19358 *147.089*@9.076162 raw intensity 17309 18709 18782 12944 13646 14510 6718 6265 1 11780 12472 12543 11342 11910 11264 1 6632 6211 12656 13217 12392 1 8876 8380 1 1 1 16926 17581 18376 1 14118 14332 10155 10904 11790 1 16297 1 9856 10802 11387 6388 6252 1 10507 10794 11268 7468 7369 1 1 4605 4312 17371 1 18135 12300 13052 12103 7110 7656 6969 *981.0237*@0.653 raw intensity 1 1 1 26672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19050 1 *408.1737*@0.6761428 raw intensity 1 1 1 1 5839 1 1 1 1 10006 1 1 1 1 12173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10559 1 1 1 1 1 1 9111 1 6421 1 1 1 1 1 1 9862 1 *220.8522*@0.654 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17036 1 C19 H23 N11 O2 S4 raw intensity 1 1 1 9346 5839 8486 7497 10864 8977 1 1 1 2984 1 1 40049 36058 22247 74728 67726 63046 6243 3188 6249 4197 1 2328 1 1 1 2971 1 2815 1 1 1 1 7079 9270 6218 7215 6977 17337 12081 8234 1 1 1 1 1 1 1 1 1 1 1 1 5070 3370 4211 3723 1833 1 *542.0148*@0.6741936 raw intensity 1 1 1 7279 5728 7340 7047 9030 8754 1 1 1 1 1 1 19776 23937 19550 28792 32799 32733 5342 3902 5979 1 1 2766 1 1 1 1 1 2637 1 1 1 8410 6464 8397 6046 6231 5811 10871 10207 7860 1 1 1 1 1 1 1 1 1 1 1 1 3512 3191 4529 2896 2527 1 *807.2152*@0.6838125 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 1 4514 1 4237 1 5003 5041 5813 1 5980 4565 4733 4658 5030 5705 4059 1 3879 1 4828 2378 1 *737.1427*@0.6861853 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10320 8842 9099 15279 16258 15562 21081 19518 19073 19724 18253 19287 22463 23642 24302 19465 18472 18690 18983 18868 17073 16310 15361 15355 20052 18216 17020 *667.0658*@0.6901481 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18313 17062 18607 29515 29772 29056 38854 39689 39075 36587 37288 36558 40782 42586 40760 35063 34792 33753 31567 32576 31834 30176 28677 29509 36246 35654 34072 *332.1623*@0.7025 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 1 1 1 1 1 1 1 6375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 1 21622 1 *298.0896*@0.70633334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71565 82339 86791 *312.1288*@0.74825 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20255 13278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60888 1 *296.1056*@0.7115 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19992 16744 *270.0594*@0.71199995 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26897 141346 138420 139582 1 1 1 1 1 1 139824 143012 1 *256.0956*@0.71175003 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326945 1 1 1 1 1 1 1 1 1 182470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229605 248441 *256.2368*@0.71166664 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 1 1 6776 1 1 1 1 1 1 1 1 1 7646 1 1 1 7926 5310 1 1 5498 6713 1 1 1 1 1 5674 6070 1 5504 5931 6133 5218 7137 6804 6711 1 1 1 1 5209 5553 5389 5243 7369 1 *207.0393*@0.71099997 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16094 1 1 1 1 1 1 1 1 1 7964 1 *186.0332*@0.72066665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3695 1 1 3195 3696 1 *484.4543*@0.71879995 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8702 1 1 9564 10720 1 11125 12502 1 1 1 1 1 1 1 46740 1 1 1 1 1 1 4119 1 20172 1 1 1 1 1 7940 1 1 25280 1 *242.0943*@0.7208204 raw intensity 290810 295413 293390 158271 1 1 778117 1 1 228536 224534 219272 55755 1 56170 1 1226210 1 720296 1 1 1 272537 307805 1 668779 671407 746324 1 1 803736 793677 819442 856773 1 838918 876029 851214 1 600397 613568 600936 1 1 2078911 652244 650491 665601 357146 1 1 1 1245685 1 143427 1 76155 629267 629114 1 1037990 1311561 1 *242.2856*@0.7186 raw intensity 1 1 1 1 1 1 1 3045 1 1 1 1 1 1 1 4546 1 4677 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 1 3271 1 1 3607 1 1 1 1 1 10176 12522 1 1 1 1 1 1 1 6013 1 1 1 1 1 1 1 1 1 6720 1 C17 H33 N13 O2 S2 raw intensity 1 1 1 1 1 1 1 2757 3144 1 1 1 1 1 1 3849 4718 3609 3271 3281 1 1 1 1 1 1 1 1 2671 1 3860 3178 3731 4764 4732 4925 5565 5933 5373 4979 4393 3344 1 14291 11372 4048 3683 3831 1 1 1 5810 5778 5339 1 1 1 1 1 1 3243 2776 1 *1163.0951*@0.7211936 raw intensity 1 1 1 1 1 1 5795 5664 5633 1 1 1 1 1 1 4901 5260 4769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5210 4860 5547 5147 5372 5642 3536 3638 3330 14489 14805 15056 4660 4690 4890 3146 3490 1 11625 11003 10390 1 1 1 5342 1 5597 9872 7807 7163 *358.1761*@0.72466666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24991 30892 27988 C24 H22 O8 S3 raw intensity 1 1 1 10321 9536 9967 12267 12537 12799 1 1 1 3845 1 3506 26880 25796 26583 24086 23218 24400 5818 6227 5824 4698 5060 5226 1 1 1 1 1 1 1 1 1 1 4149 4188 1 1 1 7090 6203 6185 1 1 1 1 1 1 1 1 1 1 1 1 20501 20284 21095 14086 14587 14009 *412.159*@0.7205 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8314 12344 1 C24 H22 O5 S2 raw intensity 4329 1 4224 20646 20495 21008 26291 27591 26773 1 1 1 7696 7945 7496 57608 60225 56542 53191 52467 52920 14947 14059 15249 13396 13810 13056 1 1 1 6629 7463 7844 1 1 1 10640 10171 10805 9160 8512 7386 15753 13617 13646 1 1 1 1 1 1 1 1 1 1 1 1 43057 41106 43718 29244 33375 33842 *400.1617*@0.725 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5000 1 *454.162*@0.7263334 raw intensity 1 1 1 1 1 1 1 1 216982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465450 1 *267.5266*@0.727 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 1 *454.531*@0.727 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10958 1 *191.991*@0.7288334 raw intensity 1 4607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5915 1 1 1 1 1 5118 1 1 1 1 1 1 1 1 8169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3632 1 4822 1 *228.3603*@0.72650003 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5253 1 *1125.0068*@0.73052 raw intensity 4073 1 1 1 1 1 1 1 1 3350 2749 3030 1 1 1 1 1 1 1 1 1 3324 3448 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 2519 3426 2928 9932 9070 10059 5930 6191 6872 1 1 1 3218 1 3212 9101 8127 8830 3961 4388 3857 *267.8941*@0.7305714 raw intensity 1 1 1 1 1 1 1 1 1 1 1 9090 14841 14242 16223 1 10305 10945 29287 25323 1 9634 8719 11022 1 1 8400 18321 1 1 10074 9408 1 1 1 1 14088 11053 11098 1 1 1 1 1 1 1 1 1 1 5862 5543 1 1 1 1 1 1 1 1 1 1 11286 1 *311.8441*@0.7321251 raw intensity 10440 10352 10861 26804 25231 24838 19343 13491 19298 18009 17953 17266 18987 19900 19879 11414 12036 1 1 1 1 1 1 27862 1 25894 1 1 1 1 20805 18040 19807 1 1 1 31055 30261 31798 23241 22868 22609 21007 20834 19984 1 1 1 1 1 1 1 1 1 13970 14417 13566 14286 14571 14854 12439 17288 16706 C16 H18 O4 raw intensity 38773 39849 40848 1 1 1 1 1 1 1 1 1 1 1 1 1 87756 1 143445 127070 142708 1 1 1 39681 32877 1 1 1 1 104664 100687 103158 72515 68117 80001 140849 103982 116006 67596 1 65679 269310 252974 262995 113830 115366 116748 1 1 1 112104 112556 128238 25466 24460 1 81865 83589 1 96291 143009 183198 *456.8846*@0.734 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3672 1 *344.1587*@0.736 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34148 39755 38842 *214.0638*@0.7387858 raw intensity 1 1 1 1 1 1 1 1 1 200486 1 1 1 1 1 306426 1 310597 618319 640952 636723 166482 165201 172284 1 1 1 552594 567347 1 784246 1 1 1 337671 333834 1 1 1 496594 529831 498968 498010 434437 1 440884 438484 428279 1 1 1 1 1 1 1 1 105615 441358 465371 453640 376383 472208 1 *330.1444*@0.7375 raw intensity 1 1 1 1 1 1 1 1 28673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44402 52585 54438 *260.243*@0.744875 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7786 8747 1 1 1 1 1 1 1 1 5048 1 1 6671 6929 1 1 1 1 4742 4271 1 1 4155 1 10285 1 4755 1 4902 1 1 1 3519 3726 3304 1 1 1 1 1 1 1 3613 3939 *235.9924*@0.76987493 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6239 1 1 1 1 1 1 1 34010 27698 31918 24608 28147 25883 *384.193*@0.75200003 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21598 25663 23340 *302.1166*@0.755375 raw intensity 1 1 1 1 1 1 122976 131275 128825 1 1 1 1 1 1 52207 1 1 1 1 1 1 1 1 120099 118356 119935 1 41812 1 1 1 1 1 1 1 1 1 1 1 1 28350 1 1 79690 29554 30733 31156 1 1 1 1 1 1 1 1 1 1 1 1 95016 127373 134140 *370.1768*@0.761 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19175 1 *418.1966*@0.7635 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6166 6702 *775.0968*@0.7685555 raw intensity 3539 3468 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3475 3220 2860 1 1 1 1 1 1 1 1 1 4229 4701 4739 *356.1636*@0.766 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62579 67586 65949 *1199.1998*@0.7685625 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4114 3697 4186 1 5896 5944 1 1 1 1 1 2256 1 1 1 2658 1 2604 1 1 1 1 1 1 6547 6628 6685 1 1 1 1 1 1 1 1 1 13391 13775 14018 2745 2346 1 *300.1366*@0.7685883 raw intensity 1 1 1 1 1 1 125307 130038 128935 1 1 1 1 1 1 1 35476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31264 1 1 54755 54038 51944 1 1 1 1 1 1 13869 13106 12764 41336 38958 40715 384961 462778 475464 *808.099*@0.76807135 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5710 6264 6130 11491 14524 13587 7425 8129 8768 1 1 1 7547 8978 8243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14232 15913 *573.6967*@0.768 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9147 1 *421.0856*@0.76975 raw intensity 1 1 1 1 1 1 1 1 1 1 1 33397 1 1 1 1 1 1 1 1 1 70337 1 1 1 1 1 1 1 1 1 1 45587 1 1 27269 1 1 1 1 27853 28198 1 1 1 45595 42867 42318 1 13344 1 17655 19367 21146 60117 1 63670 1 55147 39401 45536 47516 42263 *1008.1757*@0.76963997 raw intensity 7314 7177 6347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3235 1 1 6415 5961 1 5153 4577 4854 1 1 1 2211 2989 3478 1 1 1 7716 7261 7160 1 1 1 1 1 1 10009 9593 9191 1 1 1 1 1 1 12779 12358 12978 1 23962 22437 11547 8508 1 *343.8522*@0.7744 raw intensity 1 1 1 5819 19613 1 18737 1 1 16489 18766 21534 14453 15629 14231 1 7895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13122 13589 7371 5752 11929 1 9229 1 1 17855 17760 1 7483 8863 27827 25235 23224 20845 23008 22682 19064 18886 21157 19451 19971 15384 16449 10928 11025 C21 H27 N O12 S3 raw intensity 2697 2262 2565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2311 1 1 1 2865 3814 1 3041 1 1 1 1 1 1 1992 1 1 1 2784 2856 2853 1 1 1 1 1 1 3724 4121 3784 1 1 1 1 1 1 4446 4062 3872 7331 7438 7754 3862 4255 4520 *859.1892*@0.77099997 raw intensity 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1 46472 38758 43932 1 1 1 86182 95495 75415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181654 220014 244998 *644.0683*@1.0124488 raw intensity 7678 11463 8864 15381 1 1 1 1 17455 1 1 1 1 1 1 10820 7606 10585 23152 22823 1 8535 9829 9606 37271 25868 37522 1 1 1 8796 9424 8912 29116 30028 29565 20742 23454 21934 35108 34076 38201 83341 85149 77442 39873 33138 31695 28157 30988 27938 8405 9182 5949 18090 18371 18401 26854 27065 26223 39612 26518 23644 *892.07*@1.0139999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16503 10481 *576.0851*@1.0085001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4267 1 1 1 1 1 1 1 1 1 1 1 1 14162 1 1 2327 1 *214.108*@1.0130714 raw intensity 1 1 1 1 1 1 1 1 261061 1 65540 1 1 1 1 1 1 1 19004 1 119715 1 1 1 1 1 1 1 115102 1 1 1 1 1 1 1007609 1 265123 220093 1 1 1 1 1 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intensity 1 1 1 56280 56540 53144 1 1 1 1 7784 1 57169 54358 54534 1 1 16166 1 62278 62392 1 1 1 1 1 1 1 1 1 1 1 26880 1 1 10785 1 1 1 23561 23981 1 44479 36783 1 41459 40768 1 1 14893 13726 1 1 1 128982 112613 116075 13610 1 15117 16657 18036 21273 *888.0613*@1.0185001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12106 11759 *444.1874*@1.0113333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7323 7367 1 1 1 1 1 1 1 1 1 1 9553 1 7913 10802 11457 1 1 1 1 1 8071 1 1 1 1 1 4751 1 1 1 1 1 7114 1 *498.2168*@1.0547857 raw intensity 1 1 1 4299 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13083 13311 1 2853 1 3988 1 1 1 1 1 1 1 1 1 1 1 1 1 10683 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 4112 4164 5015 1 1 9154 9494 9431 *522.0924*@1.0172144 raw intensity 1 1 1 1 19382 10366 6016 1 6402 1 1 1 1 1 1 1 1 3258 18639 21148 1 29167 13619 31191 32650 26890 27088 1 1 1 1 1 1 8236 3863 6482 1 1 4839 6777 1 1 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intensity 38233 123580 59799 48839 30978 1 87662 28949 31565 38685 25230 16565 1 27046 23679 102257 95017 1 69059 73066 74084 26604 42628 43258 110514 109691 106024 229827 222632 1 35485 34791 112669 39850 73725 46388 20124 68736 25929 152186 75705 100058 54552 53772 51252 1 38478 41983 54324 21399 155036 102492 1 107276 1 1 1 69595 1 52237 34021 83763 208513 *340.4607*@1.023875 raw intensity 1 1 1 1 1 6438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79921 1 1 1 1 1 1 1 1 62378 1 1 27093 1 1 1 1 1 1 46495 66002 78258 64943 *170.3025*@1.0666249 raw intensity 3007 1 1 1 1 1 1 1 1 1 6706 1 15435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26467 1 1 1 1 32621 1 1 1 1 1 1 1 1 12081 48218 1 *1039.809*@1.0552499 raw intensity 1 3381 3004 1 1 1 1 1 1 5123 1 1 1 3817 1 1 1 1 15708 1 1 7623 1 1 1 1 15163 1 13816 1 1 1 1 1 1 1 1 1 4531 1 5476 6417 1 1 1 1 1 1 3590 1 1 7635 1 1 1 1 1 1 1 1 5650 6677 6744 *348.1794*@1.0768948 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24000 24279 9438 9650 1 14887 1 1 1 14690 1 6551 1 1 1 7025 1 7656 1 1 1 1 1 1 3616 1 8457 8187 8106 1 7251 1 1 6058 4911 1 1 1 20550 1 18195 1 1 1 1 4825 1 *533.956*@1.0522858 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 1 1 1 5995 5284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 2216 3343 *558.0046*@1.0527778 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7180 9301 9131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10133 9542 8913 1 1 1 1 1 6476 1 12555 12362 *1029.2777*@1.053643 raw intensity 6687 7138 6958 10202 10977 11176 12519 12950 11499 1 1 1 1 1 1 1 1 1 1 1 1 7092 5708 6328 6571 7280 7245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5437 5011 1 1 1 7880 8870 7990 9460 7659 8151 10857 11753 1 1 1 1 5762 8294 7377 *1374.4224*@1.054 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7347 1 *508.0755*@1.05725 raw intensity 1 1 1 1 1 1 1 1 1 1 1 4835 1 1 6314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11699 1 1 1 7368 1 *512.0197*@1.0797143 raw intensity 1 1 1 1 1 1 1 1 1 6186 1 6484 1 1 1 1 1 1 1 8998 13473 1 1 1 70901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12434 1 *358.1099*@1.0854999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20397 21114 16745 *636.9649*@1.055 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 *429.9818*@0.9929999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425826 1454772 1 1 10669 1 1 1 1 1 1 1 20264 1 *462.0364*@1.0402353 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4809 1 1 1 1 1 21500 1 4892 49117 1 1 15015 1 6890 1 13405 2060 7123 1 7792 7488 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22466 1 *446.3318*@1.0578572 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12874 11907 1 1 1 1 1 1 1 1 1 1 1 1 1 6047 1 6137 5772 7582 4106 *910.244*@1.0626667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 4223 1 *714.1758*@1.0631334 raw intensity 1 1 1 1 1 1 9239 1 1 5165 6004 5451 1 1 1 1 1 1 1 1 1 10154 1 1 1 1 1 1 5219 1 5440 4764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4017 5644 2923 1 1 1 3529 3539 3733 1 5547 1 *970.2801*@1.0666667 raw intensity 1 1 1 1 1 1 1 1 65953 1 1 1 1 1 1 1 1 1 1 1 1 1 60473 1 1 66312 1 1 44587 1 1 50176 1 1 25929 1 34483 1 36796 1 35814 1 1 48778 1 40042 1 1 1 1 1 1 1 1 1 1 46582 1 32899 1 48798 52367 1 *716.116*@1.0667633 raw intensity 20580 1 1 1 1 1 1 1 1 35358 33635 34560 45727 45295 46009 48159 50066 48573 33218 32678 33112 24369 1 1 31583 30992 33238 23671 1 1 34526 32736 36628 18287 19092 18054 31911 34673 32442 1 1 1 25916 25573 11119 10037 23052 23370 15449 17984 19857 1 1 14519 1 1 1 1 1 1 1 11012 1 *452.3283*@1.0766 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11007 1 1 1 2678 1 1 6619 6684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7724 1 C20 H10 N8 O9 raw intensity 31481 1 23424 55879 54441 52070 30339 28061 26790 11724 11664 10892 18984 19564 1 32554 38400 27269 1 1 1 1 26754 33357 62165 1 68935 1 6713 1 1 1 1 24741 23147 24041 15997 1 1 46703 41593 37982 29445 23325 27866 14895 15443 15646 31512 35609 37838 24257 1 24140 6983 1 5983 17178 22083 22238 25050 12573 11116 *1138.253*@1.0667999 raw intensity 1 1 1 1 1 1 1 3890 6480 1 11661 12720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3296 1 *524.1013*@1.037 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6307 1 1 1 1 1 1 1 1 1 1 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7036 10132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4418 1 *166.9861*@1.0706667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30826 40178 44914 *622.174*@1.0771428 raw intensity 1 1 1 1 1 1 77112 1 83935 1 1 1 1 1 1 1 62763 1 1 1 1 1 1 1 74773 74476 1 1 63329 1 1 1 73564 1 1 32084 1 1 1 1 1 1 1 1 1 53541 56758 1 1 1 1 1 1 62002 1 1 1 51720 1 49906 1 52458 1 *412.3143*@1.0760001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2909 1 1 1 1 1 14963 1 1 3932 4161 *390.2476*@1.0775 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4816 1 *492.3677*@1.0786428 raw intensity 1 4808 1 1 1 7035 1 1 1 1 1 1 1 1 1 1 1 1 9535 11454 8775 6064 1 1 1 1 1 1 1 1 1 1 5655 1 1 1 1 1 1 5453 1 1 13588 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18479 1 *292.1703*@1.106 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2894 1 *624.7538*@1.106 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19827 19346 *324.2204*@1.1079713 raw intensity 1 10092 9263 11555 12285 11413 9758 1 9443 1 1 1 1 1 1 1 1 1 16270 1 17399 13846 14348 1 15635 16576 15788 1 1 1 11688 1 1 1 1 3550 9816 1 9906 8479 9011 10684 1 12839 14957 1 1 15647 1 6699 4224 7140 7323 1 36973 25318 26381 17346 1 1 14659 18790 16574 8,13-dihydroxy-9,11-octadecadienoic acid raw intensity 1 1 1 1 1 1 257268 227875 264650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217304 217760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187105 176301 179411 1 1 1 1 1 1 395950 404968 391026 1 1 1 1 1 1 979124 1207498 1246805 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52957 61878 56761 1 1 1 61877 59517 60099 1 1 1 1 1 1 1 1 1 35101 1 54504 1 1 1 1 1 1 51734 39819 31756 58859 66926 49608 1 24830 34807 30949 35034 1 1 1 51831 1 45726 17334 1 21996 1 67193 31375 34695 34741 53349 40394 51827 53619 1 *518.3229*@1.1456667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10063 1 1 4089 1 1 1 1 1 1 1 1 1 9825 1 1 1 9794 15603 13625 *886.2571*@1.1438438 raw intensity 33761 1 32350 1 1 1 34528 1 36704 44196 41652 1 1 1 1 1 1 31296 1 37413 37797 1 1 1 1 33839 1 1 24892 1 1 1 40568 14057 12575 13067 1 1 1 28109 26800 1 23673 24273 22321 26874 26716 1 1 31869 31901 24723 26313 1 1 1 1 23624 23398 25015 15394 17926 17513 *320.1806*@1.1522499 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5948 9843 1 21208 1 *370.1734*@1.1543334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23962 14487 9550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13372 1 *256.5081*@1.152 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6913 1 *342.1857*@1.152 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267921 1 *374.0866*@1.1197499 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9271 8211 16213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5927 1 *234.0734*@1.156 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18072 1 *256.3638*@1.1586667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3180 1 1 1 1 1 1 1 1 15835 16318 *574.3415*@1.1615 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4561 1 1 1 1 5132 1 *296.0661*@1.1586666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29685 24801 28829 *256.3014*@1.1609089 raw intensity 1 1 1 1 1 1 67148 66443 69008 1 1 1 1 1 1 63201 1 59682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12154 11751 12013 1 1 1 1 1 1 40259 54308 57646 *432.2664*@1.169 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12246 1 1 1 1 1 1 1 15894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8576 1 *441.9458*@1.159 raw intensity 11227 1 1 1 1 1 1 1 1 20480 1 1 1 1 1 1 22636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5010 1 1 1 9170 1 25384 1 1 1 1 1 1 1 1 1 1 1 1 1 43773 1 *776.3841*@1.158 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5344 1 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1 1 1 1 1 5895 1 1 1 1 1 1 1 1 24286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60809 62526 *506.3489*@1.1583501 raw intensity 1 4963 1 1 10775 1 1 1 1 1 1 1 1 1 1 1 1 1 23123 13883 1 5842 4206 4747 5796 1 10503 1 1 1 8504 16745 1 1 1 1 3156 1 1 1 3594 5771 1 1 1 1 1 1 1 1 4641 10248 1 1 11159 1 37762 1 1 22179 1 10153 1 *280.1659*@1.1997143 raw intensity 1 1 1 1 1 1 1 1 19474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10394 1 1 7104 1 1 1 1 1 1 1 6326 1 1 1 1 1 99028 113846 122406 *230.3402*@1.1700001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17158 17037 *1151.1454*@1.1708 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9270 8389 8275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18503 19173 *454.3264*@1.1282941 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39064 1 1 1 1 1 1 1 1 19203 1 39179 39671 44463 1 1 1 19890 30659 29943 1 30579 35434 1 1 1 34824 35215 32836 1 43479 1 43715 1 1 1 1 36331 1 1 1 1 20473 1 *196.0731*@1.1765 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12199 1 1 1 1 1 1 1 1 1 1 1 1 1 9257 1 1 1 1 1 1 1 1 1 1 1 4955 5249 *562.2471*@1.1524999 raw intensity 1 1 1 1 1 1 1 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4787 1 *242.2821*@1.1795 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4195 3943 *222.0932*@1.1798235 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19934 13835 1 1 1 1 14943 1 1 1 1 12489 10100 9613 1 1 1 1 1 1 1 1 1 11279 10806 8255 1 1 7338 1 1 1 24583 24533 24285 1 1 1 1 1 10747 9422 10644 9252 *433.2408*@1.181 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 *508.5675*@1.1809999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29584 41275 42004 *266.1412*@1.2185555 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36431 1 1 35057 1 1 1 21974 15296 1 1 1 1 1 1 55172 67877 59194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71967 75217 1 *344.154*@1.181 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17725 1 *242.1529*@1.1827857 raw intensity 1 1 1 38728 32867 36217 1 239310 1 1 1 1 1 1 1 133440 132520 137220 1 1 1 1 1 1 1 1 1 1 1 1 193708 207672 199492 85498 84271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417163 414548 *508.7037*@1.184 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11501 1 *588.3246*@1.1952001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9591 10878 6154 1 1 1 1 1 1 5206 6480 1 *1175.1497*@1.184 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11171 12983 12633 *108.058*@1.2360588 raw intensity 12438 11299 1 1 1 17167 12357 1 1 1 1 2963 1 1 1 1 1 8560 1 1 1 15283 15481 1 11529 1 12350 1 1 1 23287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7879 1 1 1 1 1 1 1 16442 7478 16445 1 1 1 1 30893 42500 *141.0234*@1.0985 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69085 73102 1 1 1 1 1 1 73515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17297 1 *395.2651*@1.152 raw intensity 1 1 1 1 1 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7335 1 *686.3819*@1.1911819 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6369 1 4718 1 15201 1 1 1 1 1 1 1 5200 1 4712 1 1 1 1 1 1 1 1 1 1 1 1 6237 4287 17061 1 1 1 1 1 1 11545 9263 10364 *428.2932*@1.2013334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4409 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45978 1 *216.1373*@1.1933334 raw intensity 1 1 1 1 19531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83323 1 80557 1 1 1 1 1 1 87375 101598 106484 *410.1793*@1.1870834 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14481 18998 1 1 1 22573 1 1 1 1 1 1 1 1 1 1 14281 1 1 1 1 1 23243 1 1 1 1 1 1 1 1 1 1 10421 8960 1 34771 1 29117 1 1 1 1 1 1 23744 28377 21362 *342.1291*@1.207091 raw intensity 1 1 1 1 1 1 35086 29243 1 1 1 1 1 1 1 23276 25031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40523 42121 39221 1 1 1 1 1 1 57074 18839 50392 *568.2134*@1.1942726 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67532 1 4300 1 1 1 1 1 10413 8404 10257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16169 14377 13962 16712 15404 17150 *500.2188*@1.2116001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19248 1 1 1 1 1 2453 1 1 1 1 1 1 12141 10435 16695 *422.2037*@1.2314999 raw intensity 1 1 1 1 1 8920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11645 1 *548.1962*@1.1988572 raw intensity 1 1 1 1 1 1 8260 1 1 1 1 1 1 1 1 1 1 1 27060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5190 1 1 1 1 1 1 1 1 1 1 1 11861 1 20462 1 1 1 1 1 1 1 20644 51976 *750.4*@1.2006667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8802 10317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8226 1 *616.3471*@1.1984999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12712 13698 *434.1723*@1.238125 raw intensity 1 1 1 1 1 1 6865 1 1 1 1 1 1 1 1 1 1 8216 1 1 1 1 1 1 1 1 1 1 1 1 11600 4834 5761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30668 1 1 1 1 1 1 1 1 1 16547 16036 *500.3662*@1.2057998 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4233 1 5769 1 1 1 7209 6094 7061 6014 1 1 5282 6254 4974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6010 1 *1149.1349*@1.2011667 raw intensity 1 1 1 1 1 1 9744 8512 10988 1 1 1 1 1 1 8113 7828 7307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11930 9546 11662 1 1 1 1 1 1 44474 30422 30458 *456.5209*@1.2041999 raw intensity 1 1 1 1 1 1 1 21775 1 1 1 1 1 1 1 1 19585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86339 1 1 1 1 1 1 1 1 133400 133917 *228.324*@1.2028333 raw intensity 1 1 1 1 1 1 6114 1 5587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17899 21787 1 1 1 1 1 1 1 33998 34432 *328.0568*@1.2060001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16732 14810 1 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*730.3746*@1.212 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13309 12458 16432 *394.0039*@1.2103829 raw intensity 125031 130980 132875 118680 120618 121179 197697 199231 206437 561618 593067 603927 156534 154517 156176 333205 380968 424854 299204 300274 309749 257266 264481 257273 279862 294171 305186 1 1 1 457887 474974 434471 148101 148414 147212 227671 231508 231237 138705 133900 143796 130180 135893 139229 258294 248922 271183 175130 167365 156787 162845 176091 174027 115784 119951 120514 194750 199197 198955 154214 221380 263721 *294.0103*@1.2120168 raw intensity 442092 447973 442761 473087 470128 462506 402811 396358 390062 553568 559028 555798 385257 392238 393860 445002 409001 385079 167989 159085 151285 287846 278099 288175 204998 195481 186125 1 1 1 155274 145344 135091 348912 351105 347538 413893 408094 407485 390082 382025 385555 505408 493251 492223 415094 408641 411595 227613 224582 218638 253426 253790 231109 270603 272993 269690 510063 504279 507600 1 234260 211843 *570.2414*@1.2105 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8578 7587 1 *590.3425*@1.2161 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13514 10756 14602 1 1 1 7781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24780 21647 20097 1 1 1 1 1 1 31409 37358 37532 *134.0145*@1.2121248 raw intensity 4957 1 4878 1 1 1 6009 1 1 1 8626 8266 1 4453 1 8632 8454 1 1 1 1 7647 1 1 1 1 1 3248 1 1 1 1 11567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6900 3198 1 4537 1 1 1 1 6704 7614 C7 H5 Cl N2 O4 raw intensity 1 1 175358 550575 555279 555158 260577 1 1 1 212274 1 1 179428 166581 1 1 1 1037081 1099188 1064989 362592 369621 1 814267 808169 838489 1 1 1 1012433 1026779 1 406061 1 399742 477114 1 464204 1 1 1 1 1 1 1 1 1 728442 729832 732302 1316893 1306372 1309132 1 1 1 216451 223287 229776 322755 357403 385159 C35 H51 Cl N14 raw intensity 1 1 1 1 1 1 4151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12387 10395 10970 11938 1 1 1 6463 1 5208 5482 1 1 8584 8346 7851 1 3896 1 5333 5515 4694 7844 7195 6108 1 1 1 6887 8416 8137 1 1 1 1 1 1 15243 13403 12673 *394.1592*@1.1416667 raw intensity 1 1 3525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13826 10030 1 *382.2517*@1.23225 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11072 1 1 1 1 1 1 1 4237 1 4120 1 4747 1 *516.2712*@1.2036666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6778 1 1 1 1 1 1 7403 1 1 1 1 1 1 1 1 1 1 1 7804 1 *417.9521*@1.2152857 raw intensity 1 1 1 1 1 29003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23433 27181 14444 1 1 1 1 1 1 1 1 6269 6151 1 1 1 1 37652 1 *628.3481*@1.2158 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8360 1 1 1 1 10296 1 1 1 1 5643 5835 1 1 1 1 1 1 1 1 1 12716 1 1 1 8901 12122 11220 1 1 1 1 1 1 1 18823 7538 *278.1483*@1.2088115 raw intensity 20521 18723 18377 1 1 21314 45550 42926 49679 1 1 8945 16305 1 1 29684 35847 33937 48540 52075 65962 13969 1 12799 46952 46392 42455 12947 15025 1 34374 33125 36170 1 15620 1 28022 21758 19536 13808 20120 16649 30365 29362 31986 13220 12391 14829 32256 30169 29609 73196 73503 76333 18560 14054 15239 22869 22514 25823 58635 73832 88290 *312.1804*@1.2158333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195033 201950 160248 1 1 1 1 1 1 132305 144548 152111 C34 H62 N2 O5 S3 raw intensity 1 1 1 6713 1 1 9006 7778 9135 1 6369 6920 1 1 1 8250 6674 7528 1 1 1 1 1 1 23220 21694 22388 1 1 1 10324 11925 9061 11218 11153 11702 13604 1 14733 10202 6816 1 7613 8084 10725 15762 13899 14353 1 6381 1 1 17351 15708 1 1 1 6134 1 8507 24383 24074 1 *202.2391*@1.2177501 raw intensity 1 1 1 1 1 1 1 4900 1 1 1 1 1 1 1 1 3573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7039 7044 *536.2345*@1.2123333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10254 11324 *281.1666*@1.217 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5140 1 *408.1986*@1.218 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152409 151196 *660.3642*@1.2210001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3606 1 8555 7277 9158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 1 1 1 1 6105 1 1 1 1 1 1 1 8744 7677 7203 *476.2012*@1.2216667 raw intensity 29349 1 1 34308 29779 27110 1 48830 49159 58072 55252 1 1 38622 1 52649 36965 1 1 1 1 49312 1 46658 33465 30158 27049 1 1 1 16869 1 1 29431 34483 32784 62279 66631 68965 72140 71114 1 1 1 1 94742 92404 1 1 19879 23601 1 1 1 29908 29732 29810 36533 28707 28374 1 28228 1 C25 H31 Cl S raw intensity 74798 73996 1 144449 138559 147870 189096 187965 207519 174381 172670 185874 122266 118955 118051 208659 219387 216338 1 221910 174898 455487 458493 431762 676166 690223 668049 1 1 1 329934 342030 340648 192308 204801 200176 375360 380675 381266 188750 187339 184457 211198 212653 204226 272263 271931 262015 1 1 1 342020 336155 333974 91851 79216 94781 68527 86799 83959 194557 211318 214168 C39 H64 N2 S4 raw intensity 1 1 1 1 1 1 11188 12052 10275 8556 8377 9250 6907 1 5537 10211 10249 10170 1 9311 1 26985 1 21349 29980 30144 28934 1 1 1 12206 1 14901 14643 1 14867 20266 21617 19998 1 11711 10425 11952 11992 11811 18432 17623 17918 9542 7888 1 18339 20056 1 1 1 1 1 1 1 33647 35466 31577 *425.2031*@1.223125 raw intensity 25775 1 1 31109 33360 33195 36247 36917 41132 42747 43265 48556 34746 29506 26043 57215 58702 65033 1 1 56119 1 1 1 1 1 1 1 1 1 73184 72158 76274 57776 55926 53179 96261 83913 76185 55813 48366 48612 56999 1 55366 1 1 1 1 54668 55531 57238 1 1 27318 1 23088 1 1 15559 27371 40470 39199 *338.1797*@1.221 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4456 1 *210.1347*@1.20225 raw intensity 1 1 6609 1 1 1 16515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74358 68061 80984 1 1 1 1 1 1 111843 102590 108518 *602.3211*@1.2284783 raw intensity 2694 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5816 5795 5675 6726 8480 1 1 1 1 5175 1 1 1 1 1 1 1 1 3978 3512 3351 1 1 1 4665 4431 1 4500 4159 1 7205 7940 7066 9228 9428 1 11903 11180 1 1 6474 1 *166.135*@1.2154 raw intensity 1 1 1 1 1 1 1 6109 1 1 1 1 1 1 1 1 10012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23184 1 1 1 1 1 1 1 1 4543 6868 *654.3821*@1.228 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5442 1 *472.2251*@1.2325 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162262 172560 171571 1 1 1 1 1 1 9597 1 1 1 1 1 1 1 1 1 5129 1 1 1 1 16288 16763 1 1 1 1 1 1 1 13874 13411 1 1 1 1 12009 11321 11139 *588.3075*@1.2375 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6575 1 1 6715 1 *184.1457*@1.2326 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123161 125887 125344 1 1 1 1 1 1 202146 243221 1 *754.2947*@1.2190001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11946 1 1 1 1 1 1 1 15767 1 *428.2407*@1.2440001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19192 98823 1 1 1 1 1 47327 1 1 76886 1 1 1 1 1 1 1 1 36907 34739 1 50958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7225 1 1 39029 1 1 213512 1 *156.1145*@1.2406 raw intensity 1 1 1 1 1 1 20713 25499 27852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34251 1 35582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9213 1 1 1 1 1 1 24739 1 1 1 1 1 1 1 27313 37416 44314 *676.3809*@1.241 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5783 1 *844.2478*@1.2258974 raw intensity 18355 13475 16321 16289 11757 1 21941 12479 21232 17393 18161 26044 18112 10712 13912 15885 1 6229 11546 11208 1 1 15975 7624 1 1 8825 1 1 1 11366 1 1 1 1 1 16878 1 8135 1 1 1 14433 1 1 9167 6518 15235 8366 17845 12564 10315 6133 6507 1 1 1 7113 5641 8723 1 10374 10609 *260.1951*@1.233 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12633 15750 16805 *555.2524*@1.244 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5265 1 *288.2257*@1.255 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4255 1 1 1 1 1 1 1 1 1 3643 1 *228.251*@1.2468001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40117 1 14955 1 12175 1 1 1 1 1 1 1 1 1 1 1 1 84688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55136 1 *530.2892*@1.1715 raw intensity 1 1 1 1 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3499 1 *252.2698*@1.247 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4391 5395 1 *428.4889*@1.245 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6098 8220 1 *328.2116*@1.22125 raw intensity 14653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45282 1 1 1 1 1 1 1 1 1 42155 41314 2-oxo capric acid raw intensity 1 1 1 1 1 1 42217 40426 42093 1 1 1 33635 1 30276 40736 43392 44506 1 1 1 1 1 1 66822 65755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4579 1 1 1 1 1 1 1 1 16371 65204 66073 65186 1 1 1 1 1 1 66688 222804 85356 *504.2714*@1.2455 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573095 1 *552.267*@1.249902 raw intensity 36652 30199 31461 35085 36788 35648 26418 26275 26889 1 34223 32705 19470 20448 19035 20285 20674 28702 30811 28623 35259 1 1 17159 20992 24607 31735 48486 62445 1 31760 37316 36912 10775 12129 12588 31842 29933 31048 1 1 22094 19131 19661 21523 20448 24245 1 20431 25362 27430 1 1 1 17359 1 17015 20468 22173 1 14871 21201 15051 *427.9718*@1.213182 raw intensity 1 1 1 1 1 1 302412 1 1 1429473 1 1 1 1 1 1 1 271390 680843 726616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355650 1 1 1 1 8896 1 1 1 1 1 1 1 1 1 1 1 1 26145 1 1 134699 1 692661 768329 *366.1359*@1.248 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18407 21380 *208.1448*@1.2617778 raw intensity 1 1 1 1 1 7306 1 14914 28658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36462 34757 33592 1 1 1 1 1 1 75391 101059 99387 *524.3441*@1.2509999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7091 9329 *327.9778*@1.2515293 raw intensity 1 1 1 1 1 1 1 1 1 130350 137429 133401 1 1 1 91566 94325 86245 91978 108338 106949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77746 70968 1 1 1 1 1 1 1 1 1 1 1 1 1 75106 77785 79845 1 70999 1 1 1 1 1 86671 190985 *248.0728*@1.2484194 raw intensity 12138 10403 1 10111 1 10859 12569 9653 1 1 15234 7250 11740 12326 12397 1 1 21455 1 1 1 29982 30269 1 1 1 1 1 1 1 1 1 1 1 1 1 15864 1 15695 1 11581 1 1 16250 1 1 1 1 1 9802 10198 16058 18782 14667 27272 29875 27951 14729 1 14883 13900 23405 30859 *441.0617*@1.252377 raw intensity 163287 158938 155765 112544 112812 111836 145412 141635 140568 177231 175265 171820 153108 154492 156674 161273 159598 1 235063 234972 228106 161299 153982 159991 1 1 1 1 1 1 1 1 1 118659 114937 112082 218650 216869 213091 172623 173450 170755 151531 147116 145799 251575 248707 242239 154907 154847 154284 126429 123755 125192 230717 227671 227346 227256 214663 212048 116005 131408 129413 *444.3356*@1.263 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5884 1 1 1 8536 1 *258.1812*@1.2533332 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69598 88067 92876 *126.0979*@1.2527778 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6977 1 1 1 1 1 1 1 1 1 5000 15442 1 1 6560 6420 1 1 1 1 1 1 1 6428 1 6076 4187 *240.1079*@1.2541666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57293 58546 56216 1 1 1 1 1 1 59643 75868 81461 *432.2145*@1.19 raw intensity 7142 1 1 1 13445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 9780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12258 1 *562.2954*@1.253 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 1 1 1 1 1 1 1 1 1 3962 1 *452.2722*@1.240125 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20960 22351 22417 1 22889 29293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6066 5342 1 6931 1 *272.1616*@1.2939231 raw intensity 1 1 1 1 1 1 1 59111 12058 1 11637 1 14164 1 1 8251 8975 9043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27837 1 1 1 1 1 1 1 1 22384 19886 23039 1 1 1 1 1 1 1 28489 27363 *286.1942*@1.24425 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11444 1 1 1 1 1 1 1 18443 14012 20173 *400.4504*@1.2585 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11174 11506 *420.2239*@1.26 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8864 1 *412.2492*@1.2458999 raw intensity 1 1 1 1 1 1 1 1 1 1 11157 11947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15386 1 1 1 1 1 1 1 1 1 1 1 1 1 10952 12524 14098 1 1 2692 17382 19070 25307 *134.0583*@1.261 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10883 1 *402.2055*@1.2614666 raw intensity 1 1 1 1 1 1 1 1 1 11673 9925 13077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23593 20485 24239 29329 18624 18962 1 1 1 1 1 1 1 43614 1 1 8554 1 8713 1 1 17229 14909 17311 *274.1233*@1.2493334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4541 21271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8177 1 *222.0884*@1.3065555 raw intensity 1 1 1 1 1 1 1 1 1 1 10451 8311 1 1 1 6443 4045 18132 1 1 1 1 14034 1 14738 1 3163 1 1 1 1 1 14045 6172 1 6168 8129 8454 8110 5566 13789 12811 9201 9649 10005 10277 4449 1 6746 10270 10075 10800 9979 10440 5534 6617 5451 7891 8184 6617 1 6427 6922 *452.4922*@1.258 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10282 9818 1 1 1 1 1 1 1 23611 1 *393.251*@1.2843333 raw intensity 1 1 1 1 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4783 1 *547.9006*@1.2724634 raw intensity 1 1 1 1 1 4504 2209 1 2643 8234 12021 4381 7961 8167 1 10329 4934 1 14806 19601 1 35141 34692 35631 31207 9914 36169 1 8724 1 33851 33160 40035 1 1 1 14313 15955 15003 11007 8321 10277 10295 7013 3403 13848 14227 14861 1 1 3250 1 1 1 14137 1 14417 1 13640 13054 1 11350 13993 *226.1189*@1.2518723 raw intensity 30734 30778 66435 1 1 1 320606 328863 333484 29236 30723 29637 49509 53141 46297 1 1 302145 1 1 1 38898 30579 31111 92631 90873 95784 1 1 1 62561 71582 89794 33335 33377 43073 7575 35009 34071 1 23017 1 1 1 69297 26607 28320 32349 31444 43375 47485 797089 785526 774365 22276 27782 25811 36941 1 38643 1121822 1415820 1467279 *820.4057*@1.2751666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8151 9295 9906 10148 7154 6896 *333.9118*@1.2703722 raw intensity 76780 75055 1 82807 79862 80163 54749 55827 54571 1 34050 1 61538 60356 62372 49201 50251 54601 99715 102317 104086 1 1 1 1 1 1 1 1 1 1 1 1 41491 1 1 87223 84733 85008 73740 74475 72472 79841 78308 75873 64970 63400 66247 1 77974 79663 104733 100521 100389 1 1 110593 71749 72933 72158 61609 76131 80746 *392.2829*@1.2697272 raw intensity 41192 40542 39547 36294 19243 19428 1 1 1 1 1 1 1 1 35065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20165 23423 23974 *446.2913*@1.271 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18007 1 *834.4203*@1.2748333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10052 9455 11422 8113 9379 10016 *560.0332*@1.272 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17816 19601 *428.2486*@1.2551429 raw intensity 19638 1 20696 1 1 1 87740 89918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38573 1 183733 1 1 1 1 1 1 1 1 1 12819 1 *358.1931*@1.281 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25739 46276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3611 1 *696.2417*@1.276 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27444 26426 24486 7621 8149 7544 *658.2635*@1.2769473 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5205 5092 1 1 1 1 1 1 1 1 1 1 1 4937 4311 1 1 1 5980 6644 5198 1 1 1 1 2758 1 5582 5033 4544 1 5013 1 7798 1 1 1 1 1 4194 5574 4212 5842 5932 5988 *182.1289*@1.2750908 raw intensity 1 1 1 1 1 1 55112 53128 57343 1 1 1 1 1 1 47650 51923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139338 137904 139666 1 1 1 1 1 1 233592 284004 291937 *478.2628*@1.2556666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13450 1 1 1 16589 1 1 1 1 1 1 1 9784 1 1 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 15825 6224 *1147.1191*@1.2796668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6666 8431 8369 *324.189*@1.2703334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4262 1 10206 17932 *584.291*@1.3013334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3923 1 1 1 1 1 1 1 1 1 1 4367 1 1 1 5019 1 *232.165*@1.2761667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5609 1 1 1 14895 1 1 1 1 18908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13455 14358 14996 *346.1598*@1.2832382 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22785 1 1 27693 27411 25141 1 12722 1 1 1 1 1 18612 1 1 1 1 1 16643 12897 1 7826 11884 1 1 1 17503 16945 21975 13214 15627 13220 29193 21990 12721 1 1 1 1 4595 1 1 8659 1 *270.1446*@1.2802 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21776 1 1 1 1 1 1 1 17182 22046 19839 *116.0618*@1.284 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22842 1 *152.0482*@1.3112727 raw intensity 4857 11927 4723 1 1 1 6861 1 18529 1 1 1 4279 1 1 1 1 1 1 1 1 1 1 5703 1 1 1 15806 1 1 1 1 1 1 1 1 1 4580 1 1 2751 1 8178 7535 7371 5714 7382 8087 1 1 3944 1 1 1 15825 1 12386 4068 4088 1 1 6161 1 *470.2874*@1.2725 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5856 1 1 1 1 1 1 3076 1 *476.2457*@1.318 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12719 1 *681.3442*@1.319 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4793 1 C25 H27 Cl N4 O6 S raw intensity 12923 1 12112 21260 16261 19290 24353 1 1 19715 1 4938 17151 18738 19173 14700 20478 16255 1 1 16568 1 1 1 1 14153 1 1 1 1 19544 10373 25809 1 1 1 1 1 1 15772 1 9707 8461 1 1 9093 1 1 14630 16231 1 1 1 9560 1 1 1 1 8978 1 1 8079 9801 *425.1974*@1.316 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39518 34019 *450.2166*@1.243375 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9379 11431 1 1 1 12822 1 1 1 1 10921 9073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17606 1 13105 1 1 1 1 1 1 1 1 1 4341 1 *186.0897*@1.3353809 raw intensity 20453 20538 1 30222 1 23314 27734 25839 30005 23086 22993 1 22360 20941 25092 1 22011 23295 23529 20600 18083 32477 34084 1 35924 33978 33959 28086 1 1 36223 1 37618 1 23066 1 13304 26103 20848 1 1 1 14491 18285 1 1 1 1 1 1 1 35690 34507 38241 19384 18545 26278 1 18386 19393 35027 42816 42540 *488.1407*@1.3302501 raw intensity 1 1 1 6501 1 1 4208 4443 1 1 1 1 1 1 1 4987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18934 1 1 1 12369 15224 13755 1 5522 1 1 1 1 1 1 5332 1 6838 4672 1 1 1 5822 6599 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28634 1 4131 4635 6514 1 6274 1 1 1 17226 17096 16885 10885 1 9458 1 12789 10734 *264.1139*@1.2682501 raw intensity 1 1 1 1 7571 1 1 1 14811 1 1 1 1 1 1 14364 1 16527 1 1 1 1 1 1 11572 7273 7325 1 1 1 1 7737 8693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30124 1 1 1 1 1 1 1 22616 39953 *458.2744*@1.354 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 *320.1459*@1.3543334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33019 42148 46502 *306.0756*@1.3575001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19189 17795 1 *333.1802*@1.356 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5482 1 *718.3063*@1.358 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5163 1 *430.2018*@1.316 raw intensity 1 1 1 1 1 8781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8279 1 *248.2182*@1.359 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5723 1 *331.1762*@1.359 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11532 1 *622.2287*@1.3610001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10492 14872 8800 *248.0893*@1.3606999 raw intensity 1 1 1 1 1 1 1 1 1 1 10544 9534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19047 15715 17290 1 1 1 1 1 1 1 1 1 13084 1 8582 213013 256732 261292 *238.0605*@1.36175 raw intensity 1 1 1 1 1 1 1 1 1 9740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134374 160404 166420 *274.1756*@1.3945999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54903 1 1 1 1 1 1 1 42604 48069 46437 *412.1554*@1.3613334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91695 88616 93470 *737.3675*@1.3626666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11490 13349 12706 *723.3488*@1.363 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8726 1 *469.129*@1.367 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7547 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69555 79997 77686 *308.1307*@1.3968571 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14947 14442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9249 1 1 1 1 1 39632 38277 39693 *537.9951*@1.3745 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3951 3488 *188.109*@1.2887143 raw intensity 1 1 1 51977 47504 52158 1 1 1 1 1 1 1 1 1 1 8580 1 1 1 1 1 195144 1 1 1 1 1 1 1 1 1 1 1 1 1 9195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13725 1 *272.1614*@1.3834001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161354 131631 137688 1 1 1 1 1 1 1 200739 197599 *408.2215*@1.381 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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5347 *118.0637*@1.5356873 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319395 316701 314852 1 1 1 319697 302427 1 425799 436155 1 612721 609657 613113 1 263793 301532 317539 327450 321840 305937 306033 286228 334913 323465 323349 267397 1 1 481370 456883 481997 255104 277061 275122 1 1 1 259945 255086 259207 1 284892 1 *258.1423*@1.53 raw intensity 1 1 1 1 1 1 1 1 18319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19751 1 *128.0822*@1.3669091 raw intensity 1 1 1 1 1 1 1 39541 16868 1 1 1 1 1 1 19782 1 21313 1 1 1 1 1 1 11086 10875 1 5889 1 1 1 1 7390 1 4836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9323 1 1 1 1 1 1 1 1 23198 1 *653.3148*@1.4631538 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8932 1 5953 9794 1 11654 8821 9559 9988 1 1 10790 10230 2945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12812 15954 13698 *341.1394*@1.4599166 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79556 60735 81247 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20812 1 1 1 1 1 1 41539 47199 1 *296.1429*@1.504 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5264 1 *84.0576*@1.50375 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16779 17454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5479 4145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26312 1 1 1 1 1 1 48223 58736 59600 *292.3208*@1.506 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12097 1 *220.0932*@1.5021667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6426 17386 6007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 5531 7125 1 *318.1442*@1.508 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13317 1 *481.2075*@1.5235 raw intensity 1 21456 1 1 1 1 1 1 30569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4511 1 1 1 1 1 1 1 1 1 1 13501 1 14738 1 1 1 1 9658 1 a-hydroxyisovalerate - 1.511073 raw intensity 172026 168189 166046 85201 205130 1 159382 142463 159169 87668 80805 68082 112432 111696 108063 157566 109374 110473 1 1 59906 188340 229218 207265 135875 1 149800 179752 1 1 1 1 1 228452 34990 35491 1 1 1 1 1 1 1 53612 1 29131 213222 221361 1 1 1 148353 158246 154145 195574 205778 203746 1 1 35120 171279 227833 133263 *370.129*@1.55 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4141 1 *382.179*@1.5458335 raw intensity 1 1 1 1 1 1 19062 20115 15899 1 1 1 1 1 1 16011 20848 20078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36651 37229 24628 1 1 1 1 1 1 54622 64339 73079 *362.132*@1.5675497 raw intensity 7858 6537 7182 1 1 1 1 1 18914 1 9979 20808 1 11170 1 1 1 1 39896 26033 31558 1 1 1 1 27187 26192 27127 18662 1 29497 24123 30896 1 19846 1 18979 20446 20770 14193 11844 15736 22067 1 30162 1 15308 19510 22360 26373 22369 36178 39281 1 8562 8114 1 22291 21375 20950 1 34544 40427 *636.2622*@1.5630001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4431 4133 4383 *358.1784*@1.5625 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8180 1 9658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12849 14027 13730 1 1 1 1 1 1 22498 22997 20864 C9 H24 N6 raw intensity 1 1 1 1 1 1 1 9183 8632 1 1 1 1 1 1 1 1 20354 1 1 1 1 1 1 34288 34911 39402 1 1 1 1 1 1 5438 1 1 1 1 1 1 1 1 10070 8660 9391 1 1 1 1 1 1 14847 14825 1 1 1 1 1 1 1 1 29181 35059 *432.5174*@1.568 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6536 1 *1137.0776*@1.5653334 raw intensity 1 1 1 1 1 1 13582 14588 14443 1 1 1 1 1 1 13617 14257 15219 1 1 1 1 1 1 17885 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13085 13421 *62.0255*@1.58924 raw intensity 1 1 1 1 1 1 21355 1 21525 23010 21580 19595 116154 1 1 1 1 1 1 1 37020 38081 39104 1 1 30279 28011 1 1 1 1 37517 1 11528 10329 1 1 1 1 1 1 1 1 14793 1 8424 1 10302 1 1 1 19712 20798 16222 1 1 1 65831 20289 16302 94511 30044 1 *270.1457*@1.5834374 raw intensity 1 1 1 1 1 1 1 424338 479531 1 1 24186 1 1 77426 362501 386688 375027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19359 1 1 1 1 1 1 1 1 1 1 1 17781 1 1 1 496740 496973 518505 1 1 1 1 1 26021 959947 1266020 1360073 *309.1387*@1.5850834 raw intensity 1 1 1 1 1 1 40041 45960 41480 1 1 1 1 1 1 44206 47307 49624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39706 43197 39497 1 1 1 1 1 1 41644 59607 64141 *159.0859*@1.6165001 raw intensity 1 1 1 10086 1 10395 1 10383 1 1 1 1 1 1 1 6513 13843 13155 13058 14261 1 21064 22078 1 1 17280 1 1 1 1 1 1 17860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7284 1 1 1 1 1 1 10461 1 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1 1 1 26182 1 568923 761062 846944 *246.2771*@1.5870001 raw intensity 1 1 1 1 1 1 6052 1 6496 1 1 1 1 1 1 5458 6454 6406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5543 1 1 1 1 1 1 1 6742 10407 11053 *211.0939*@1.589 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7017 1 *506.2077*@1.5753 raw intensity 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5871 8561 1 1 1 1 1 1 1 1 1 1 7505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6380 5363 8630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4390 4475 6432 *276.1459*@1.586 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13277 10207 *296.1547*@1.623 raw intensity 1 1 1 1 1 1 10368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4859 1 *498.1992*@1.592 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 1 *258.143*@1.598 raw intensity 1 1 1 1 1 1 14993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42296 62539 68539 *352.1018*@1.596 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14677 13872 15899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12610 16136 1 *462.1837*@1.6116667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5489 5399 1 1 1 1 9389 9275 1 1 1 1 1 6895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10011 1 *322.16*@1.594 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67557 1 *162.0593*@1.5918 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13375 1 1 1 1 365720 17953 20483 *256.1059*@1.5955557 raw intensity 1 1 1 31390 23738 1 1 46748 41877 1 1 1 1 1 1 1 1 1 1 1 1 86549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63117 1 63194 1 1 1 1 1 1 27581 37130 1 Acetoin raw intensity 1 1 1 36226 32398 32414 1 36563 1 51884 1 1 1 24509 25491 90510 118752 122457 1 1 1 122283 11527 123075 63605 38354 54595 9839 104383 1 176631 168015 177686 61240 61654 50728 50034 46307 44597 41746 41923 38705 1 1 1 1 1 1 39520 39642 37357 39925 1 1 41663 48187 44285 63996 55483 63067 72261 105235 116476 *360.2822*@1.5925 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3651 1 4263 1 1 1 1 1 1 1 4608 5215 *478.1758*@1.60475 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4255 1 1 1 1 1 1 1 1 1 3294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 1 *1482.2506*@1.5893501 raw intensity 5457 5558 5830 1 1 1 5698 3915 5065 1 1 1 2310 1 1 8630 8962 6086 7427 1 7150 7512 6644 5479 27695 25903 28019 1 1 1 1 1 1 1 1 1 1 1 1 3701 1 4174 26202 27498 25075 12119 13336 11628 6326 4700 6407 7452 8039 7931 7267 6679 1 9165 9204 8614 19377 29670 29138 *186.1236*@1.5994667 raw intensity 15170 1 1 1 1 1 37165 555612 36882 1 1 1 1 1 1 26895 33090 31281 55726 1 1 1 1 1 1 1 141627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8682 1 1 1 7200 1 1 1 1 19053 575332 1 1 1 1 1 1 1 68117 79913 *444.2052*@1.6016667 raw intensity 1 1 1 1 1 1 1 11972 1 1 1 1 24902 8241 1 12051 28841 1 1 1 1 5272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5151 1 1 1 1 1 1 1 1 17331 1 1 18617 1 *181.0506*@1.605 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7269 1 *112.0869*@1.5811666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9897 1 1 1 1 1 1 4639 1 1 1 1 16531 1 1 1 1 1 1 1 1 1 1 1 1 1 4092 1 1 1 6151 3135 *496.2875*@1.605 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5512 1 *567.445*@1.6001999 raw intensity 1 2749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2398 1 1 1 1 1 1 1 1 2430 1 1 2763 1 1 1 1 1 1 1 1 1 1 1 1 3964 1 *284.1197*@1.6108749 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 13260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14925 6576 1 1 1 11198 1 1 1 12792 11574 10855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23841 1 *235.0789*@1.5925 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49198 1 *419.2334*@1.6062858 raw intensity 1 1 1 1 1 1 40946 39817 38469 1 1 1 1 1 1 1 1 10287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10658 1 1 1 8565 1 1 1 1 1 1 1 1 7841 7192 8368 1 1 1 14401 1 13227 1 1 1 1 1 1 25418 33865 35481 (E)-2-Methylglutaconic acid raw intensity 55740 52106 53676 37050 37857 37129 90146 89292 42737 65459 16613 13764 59950 58864 57821 88510 98619 103285 61642 60428 60955 140715 161810 148272 116850 112355 118780 67569 1 1 65749 65657 66079 31155 39728 38866 1 28315 1 24664 24611 22651 1 15203 15932 17185 1 1 30663 31835 30911 83888 78460 80219 49875 51089 52908 22875 1 1 71039 117190 132922 *200.1051*@1.6846666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 1 1 1 6002 1 1 1 1 1 1 1 1 1 1 448147 1 *552.2039*@1.6209999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 7240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 1 *427.1095*@1.6086667 raw intensity 1 1 1 1 1 57783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27925 1 18725 24704 1 1 1 1 1 1 1 1 1 26089 1 1 1 1 1 43152 1 45180 1 1 1 1 31986 1 C16 H28 Cl2 N8 O S raw intensity 1 1 1 8522 11646 21958 10908 12825 11235 5816 1 8183 1 1 1 1 1 1 1 1 15075 65652 49444 34279 35934 38250 44861 1 56602 1 39691 35064 26324 4965 1 1 9034 1 1 10555 11867 13984 13181 1 10628 1 1 1 5581 1 5614 1 1 1 1 1 1 1 20969 19947 7768 20075 19209 *174.0988*@1.6229999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 1 1 1 1 1 1 1 1 1 24442 43215 46390 *202.1137*@1.6025001 raw intensity 22724 21000 19488 21075 23022 1 1 1 1 1 1 1 17974 1 1 1 1 1 38832 1 1 1 1 1 1 1 1 48552 32680 1 1 1 1 1 1 1 22594 20937 1 15384 12038 12776 16281 18769 1 1 1 1 1 1 1 1 1 15331 1 1 1 1 1 1 1 35615 1 *832.3897*@1.609 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22216 1 *390.1465*@1.607 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9339 14257 1 *340.2054*@1.612474 raw intensity 1 211287 1 1 1 1 220480 224835 234094 1 195243 198785 198166 212395 227699 1 285633 293909 350547 1 363230 532753 541197 527619 409063 1 424615 1 1 1 1 1 449945 1 165772 1 138889 133046 132814 132742 124758 123048 1 126109 1 130854 1 1 118458 120940 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1 1 1 1 1 1 1 1 1 1 1 1 1 179197 199669 199420 259826 261352 256190 240575 236825 238287 264267 255145 259217 250411 243117 242388 321230 312011 318923 233143 231313 1 169897 174862 166037 229077 228196 231091 183613 68550 47764 *132.0443*@1.6135519 raw intensity 1 1 19891 1 1 1 1 1 1 1 1 36577 37045 1 1 1 51933 39792 135803 144125 186480 65905 16713 28736 56750 52287 55120 1 1 1 1 57412 58605 1 1 1 1 1 1 16229 1 1 23312 24413 24532 35644 45862 50138 1 1 1 25475 23485 24175 1 25602 1 1 1 1 28991 35487 1 *406.1661*@1.63 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5690 1 *345.2237*@1.6289002 raw intensity 1 1 1 22054 1 22000 11988 21433 20548 1 1 1 1 1 1 1 1 1 1 1 1 19486 1 1 1 1 1 34893 1 1 1 1 1 1 1 19554 1 1 1 11437 1 8816 1 1 9842 1 1 1 1 7183 1 1 1 1 44049 40834 46569 9595 9735 10052 1 26457 34073 *347.1692*@1.637 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48981 51032 48808 1 1 1 1 1 1 43234 47654 1 *332.0313*@2.412 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24892 23948 23025 1 1 1 1 1 1 11381 7824 1 *596.1401*@2.424 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6646 5410 5891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5987 5367 1 1 1 1 1 1 1 6685 7716 6568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7192 5233 4874 *695.1747*@2.4215002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 7151 1 1 1 1 1 1 1 3168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 *492.1648*@2.4309287 raw intensity 1 1 1 1 1 1 1 20688 1 1 1 1 1 1 1 1 12436 1 20581 1 22358 1 1 1 1 1 18057 1 1 1 1 1 1 10975 10123 8799 1 1 1 1 8157 1 17077 18124 1 1 1 1 1 1 1 1 18718 1 1 1 1 1 1 1 1 8195 8772 *437.1025*@2.4382858 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7748 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11405 10185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5471 1 *504.1316*@2.469 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7596 1 9226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13100 1 6579 5524 1 *355.1189*@2.4461539 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6281 24996 1 1 1 1 1 1 1 20288 1 1 1 1 1 1 1 1 14490 1 1 11115 15842 15609 15574 1 16562 1 1 24815 1 1 14263 1 1 1 1 1 1 1 1 1 1 1 1 18100 15141 1 *294.0863*@2.4431667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29931 36180 29476 1 1 1 1 1 1 79460 129487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101090 1 *93.0351*@2.441 raw intensity 1 1 1 1 1 1 1 1 1 5768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35741 1 10830 11450 1 10643 1 1 1 1 1 1 30186 1 10128 1 1 1 1 1 1 9202 1 1 1 1 8550 1 *1035.3892*@2.435 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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intensity 1 1 1 1 1 1 19680 1 1 1 20365 1 7912 8966 11301 11443 21462 18539 1 1 1 5151 1 1 1 1 10754 1 1 1 1 1 1 8191 18559 9028 7382 7006 5248 17202 15414 1 27092 24546 9329 10978 9168 15191 7283 12166 1 1 26341 1 1 1 1 1 1 1 1 8199 1 *128.0825*@2.5059998 raw intensity 1 1 1 11755 13633 1 1 1 1 15717 1 1 1 1 1 1 1 1 1 1 1 14735 13975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6172 1 *86.0369*@2.5206666 raw intensity 1 1 1 1 1 1 1 1 114974 1 1 1 1 1 1 60124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49646 1 1 1 1 81672 86575 1 1 1 1 22385 66363 1 1 1 1 53334 1 1 1 1 1 1 1 1 1 61644 1 *436.3238*@2.5162501 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34539 1 1 1 1 1 1 1 24738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23539 1 *371.1147*@2.50475 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5270 1 1 1 1 1 1 1 6457 1 1 1 1 1 1 1 6583 1 1 1 1 1 1 1 1 1 13080 1 *380.1301*@2.4854708 raw intensity 1 1 1 1 1 156563 1 1 1 1 1 1 50374 1 1 1 1 1 1 1 1 1 1 1 1 1 41172 1 1 1 1 1 1 1 1 176345 172667 1 1 1 1 1 1 40848 34512 1 1 206480 175439 1 183240 57411 27864 60888 1 1 1 1 1 169228 58197 39483 21955 *350.1375*@2.4965 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27688 19906 *238.1043*@2.5353334 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208573 229416 238988 *606.2869*@2.5583498 raw intensity 44407 36227 43510 1 16581 1 74594 67658 75832 51588 43897 53736 53576 1 53580 18391 39736 39005 1 14082 1 42565 37983 42263 1 21412 39838 1 1 1 17353 1 1 55601 52236 55217 22676 21963 25069 23738 24038 1 38475 35897 37523 23596 1 29917 39041 1 1 48311 1 1 1 1 33105 1 1 1 1 20117 26670 *426.1572*@2.5392 raw intensity 1 1 1 1 1 1 1 1 1 1 4839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 6648 1 1 13209 13920 1 1 1 1 7535 1 1 1 1 16270 16534 13802 1 1 1 1 1 1 1 17032 1 22025 22365 1 19754 19644 15458 11959 16755 18039 21181 1 1 1 1 1 1 1 1 8582 10117 8576 *298.1222*@2.6353333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44085 1 1 1 1 1 1 1 1 1 1 34504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67081 1 *480.1472*@2.6575 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14113 1 *344.1535*@2.657 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21328 1 *293.0998*@2.6155 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35083 1 C15 H12 N12 raw intensity 18970 16504 17368 16432 17956 17293 1 20794 19358 10117 12788 11483 12174 1 12746 1 1 1 91053 95151 95745 33225 35329 36384 1 1 1 1 1 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raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16547 1 *486.2805*@2.8966668 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12402 12699 13011 *1071.606*@2.9675999 raw intensity 13917 13559 14120 1 1 1 12727 13121 13069 1 1 1 1 1 1 9973 9263 10165 11936 11658 11661 20142 19680 20621 10326 10868 10984 1 1 1 77157 73807 75623 33128 32300 32443 1 1 1 1 1 1 1 1 1 7938 8227 1 1 1 1 13221 12815 11847 1 1 1 27380 26617 25682 21721 19152 18272 *1048.5306*@2.967892 raw intensity 17553 18835 18796 1 1 1 19070 18769 18232 1 1 1 1 7341 1 10904 9768 10929 12438 11610 11160 27648 27127 26880 11054 10531 11103 1 1 1 51442 53471 53347 29030 29644 30388 1 1 1 1 1 1 1 1 1 8553 8288 8586 1 1 1 13551 13205 13822 1 1 1 25903 25560 27028 19027 16937 16830 *526.1997*@3.0554283 raw intensity 1 1 1 1 1 1 1 1 9313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8130 1 7719 1 8862 8906 1 1 1 13553 7442 1 *583.1662*@3.0753999 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13688 14222 9831 10189 10466 C28 H40 O5 S3 raw intensity 1 1 1 1 1 1 8858 10209 10388 1 1 1 1 1 1 6561 7481 1 1 1 1 1 1 1 9850 10602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5660 1 1 1 1 1 1 1 1 9603 10592 9509 1 1 1 1 1 1 18026 16313 16312 C27 H34 S3 raw intensity 1 1 1 1 1 1 19226 15868 19102 1 1 1 7583 7621 8148 1 11223 10299 1 1 1 9714 9048 1 12960 12620 15877 1 8572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7600 15196 13682 15250 1 1 7183 1 1 1 24232 26651 26641 *513.3225*@3.1330001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4650 1 1 1 1 1 1 1 1 1 1 1 1 12055 12398 11371 *546.1699*@3.1515 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11040 13020 13995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7042 7948 6400 *446.1755*@3.1450002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20836 14305 11356 *430.1997*@3.1531665 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163362 162290 166099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22170 23017 20881 *332.1818*@3.1577272 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16473 1 1 458142 459135 476236 1 1 1 9756 1 1 7412 1 6043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16145 1 1 1 1 1 1 1 63905 70136 71283 *433.0055*@3.234 raw intensity 1 1 1 1 1 1 1 1 1 1 1 15695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22187 25512 1 *219.02*@3.2296922 raw intensity 1 1 1 1 1 1 1 1 1 20605 1 16788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15287 1 15726 1 1 1 1 1 1 14303 14531 15399 30944 35270 35747 76791 77686 79990 *247.0482*@3.2352002 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5183 1 1 1 1 1 1 1 1 10243 10219 1 1 1 6973 1 1 1 8338 1 *820.4038*@3.329133 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 16626 16826 17170 15256 14164 15185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10573 11252 11616 1 1 1 1 1 1 39856 33380 31415 17089 12489 14721 *530.2126*@3.3301332 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 15747 1 16075 13053 14011 16129 1 1 1 13488 1 14366 1 1 1 1 1 1 13397 1 14190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24780 22691 27828 16641 18785 24021 *626.2556*@3.3294284 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16017 15791 15430 10321 9569 9880 *834.4215*@3.3331 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 21739 19696 20671 13886 18656 17639 1 1 1 8929 1 1 1 1 1 1 1 1 11676 11828 12307 1 1 1 1 1 8237 1 1 1 1 1 1 1 1 1 14255 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intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8877 8899 9407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5234 5600 1 1 1 1 1 1 1 1 10747 1 1 1 1 1 1 1 1 6434 1 1 1 1 1 1 1 15123 13852 16383 *320.1027*@3.6030908 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19898 12527 20939 11553 1 1 1 1 1 17692 18521 12248 1 9108 1 12425 13165 13697 1 11592 10628 1 1 1 1 13396 1 20190 21705 21972 1 1 1 1 1 1 1 11672 11173 1 1 1 1 1 1 18909 16512 18135 *488.253*@3.603143 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14043 1 1 1 1 1 1 1 34320 29791 32402 1 1 1 1 1 1 14660 1 1 1 1 1 1 1 1 1 26064 1 *222.0856*@3.6033332 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70911 1 1 1 1 1 1 1 1 1 1 19632 1 1 1 29969 31648 1 131750 134916 142484 1 1 30973 1 18801 1 1 1 1 1 1 1 1 1 1 34845 111266 110580 *150.0512*@3.60896 raw intensity 1 9904 1 1 1 1 22879 19043 23207 1 1 1 1 1 1 1 1 1 1 16805 1 15293 1 1 9997 1 1 1 1 1 1 1 1 40204 1 1 15794 18667 17901 23385 24422 25553 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 45945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8409 1 1 1 6398 1 6844 1 1 26213 1 1 23140 1 1 1 1 10865 11728 42308 42418 1 *585.1803*@3.8675 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56476 57454 58324 65242 71654 71712 *447.1896*@4.1256423 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8207 8223 7087 1 1 1 1 1 1 19097 26811 24229 1 1 1 1 14759 1 1 1 1 1 1 1 1 1 1 1 5932 1 1 1 1 20636 19056 15385 1 1 1 1 1 1 1 1 1 6683 7671 9435 *314.1349*@4.134 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11059 1 *226.3894*@4.2165003 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4504 1 6996 1 *485.2561*@4.2612224 raw intensity 1 32059 1 42265 38611 41522 22360 21331 20715 1 11192 10414 21225 21681 20558 1 1 1 1 1 1 11077 9778 10706 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16148 14831 8058 *474.2805*@5.361 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14889 13990 16520 *384.111*@5.395399 raw intensity 5611 5283 1 4778 5979 6084 1 1 6057 8599 9057 10108 5449 5104 5925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 5005 1 1 1 1 1 1 1 1 1 1 5151 5405 5405 1 1 1 8167 1 8233 6923 7839 8635 6559 1 1 1 6695 5983 *527.2539*@5.427 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13422 6702 6571 1 5876 1 *472.2675*@5.4163337 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16993 16339 17153 *466.2545*@5.5174084 raw intensity 9944 10117 11788 7223 6600 7285 12819 12706 11819 1 1 1 1 3669 1 8050 7982 7956 10634 10883 10633 10440 9666 10827 12118 13095 13294 1 1 1 4407 1 4611 1 1 1 6586 4461 4915 7391 8777 9988 9941 10311 9161 4795 4826 4737 1 1 1 1 1 1 5593 1 5530 10066 12112 11089 10731 11486 12091 *496.2955*@5.6495457 raw intensity 6472 7119 6546 1 1 1 1 1 1 1 4331 1 1 1 1 1 1 1 1 1 1 1 1 1 6391 1 7091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7802 8380 8173 7805 7770 1 *521.9158*@5.6581664 raw intensity 264038 1 1 1 1 1 1 1 1 1 1 1 1 249110 1 10958 4811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24993 12613 *517.3008*@5.657285 raw intensity 6818 7047 7074 1 1 1 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5182 1 5015 19922 21090 20890 1 1 1 5583 1 1 1 1 1 1 11000 1 1 1 1 10089 6992 6928 *540.2557*@5.6712227 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5647 4859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12297 13215 11161 10807 11503 1 10462 8883 *418.2203*@5.6808 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14158 13405 13914 1 1 1 1 1 1 7086 7819 1 *371.1*@5.692 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42752 18324 1 *482.2495*@5.707333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5336 5770 5972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6040 6144 6599 *401.042*@5.7282004 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3086 3761 1 1 1 1 1 1 1 1 1 1 1 1 5051 7572 8541 *301.0494*@5.729171 raw intensity 23595 23180 24493 16690 17394 16576 14384 13705 13610 17547 16785 1 1 7654 1 1 1 1 14148 13710 11739 1 1 1 1 5667 1 1 1 1 1 1 1 22250 23048 22532 35830 35745 34533 23806 1 24242 24551 25236 25132 1 1 32434 1 16988 1 15846 14864 15331 33281 32240 32283 40377 39217 40152 47048 39621 31367 *287.0346*@5.798118 raw intensity 1 11019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11692 11908 11962 13440 11640 13619 1 15995 17189 15685 1 14814 1 1 6744 1 1 1 1 1 1 1 1 1 17136 18451 16534 12342 8719 1 *490.2781*@5.909 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5149 3692 1 *235.1194*@5.9195004 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11822 12603 12749 *165.0788*@5.9204 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8183 9707 1 1 1 1 1 1 1 1 1 1 1 3361 22896 24419 1 Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl - 5.922414 raw intensity 15731 17354 1 1 1 1 1 1 1 1 1 1 3932 3844 9295 23086 24565 7126 5530 4481 1 1 1 1 8885 11579 1 1 4833 1 24982 22885 24210 1 8875 1 1 1 1 1 37278 19674 22385 1 23296 1 1 1 112350 111906 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1 9502 1 12455 1 1 1 1 1 8876 1 1 1 1 1 1 1 1 1 10834 1 1 1 1 14821 1 14485 13398 14815 13497 1 1 1 1 1 16079 1 11884 1 1 9251 1 1 1 1 15081 1 14193 1 9390 1 1 1 11892 7041 7704 1 *249.8558*@7.8903704 raw intensity 20226 19823 37865 1 1 1 36941 32744 33190 51557 61937 1 34613 38481 1 20426 1 25991 15786 1 11975 1 1 1 1 13974 1 1 1 1 1 1 1 1 16981 20291 18328 16875 18083 1 22557 20346 25322 22269 22447 20125 24286 19049 84449 80126 91217 22442 15264 21981 1 1 1 38626 40391 38237 1 16293 1 *403.8914*@7.9502645 raw intensity 493503 477250 456244 166571 164560 164951 227273 217765 178812 734884 734588 789398 256917 241774 255743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110331 169326 172486 184438 212865 209830 205080 172486 103683 1 182196 1 216917 218399 1 1053075 1040262 1037657 256542 260778 255775 1 1 1 433321 430080 417589 290850 14816 1 *397.8973*@8.0136 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50297 31701 16850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20676 19484 20705 1 1 1 1 1 1 *297.0899*@0.707 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11283 1 9982 1 1 1 1 1 1 *500.5328*@0.708 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 *257.9811*@0.70949996 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15295 1 15986 1 1 1 1 1 1 *270.0521*@0.7122 raw intensity 1 1 1 1 1 1 1 1 1 75255 72217 71739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14971 1 1 1 1 1 1 *369.9036*@0.7085555 raw intensity 1 1 1 11496 11134 12149 15355 15617 15494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10549 9527 9275 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 30517 1 38004 1 1 1 1 1 1 C31 H8 N2 O raw intensity 13695 15868 17193 33643 42220 33888 14905 1 1 1 1 1 1 4626 1 1 1 1 16527 1 19314 61122 56722 65423 1 1 17467 1 1 1 1 1 1 1 1 1 5614 1 1 11057 9768 11146 14196 14127 1 1 1 11584 10506 8496 9644 1 1 1 42768 36462 39078 1 1 1 1 1 1 *356.2326*@1.031 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146583 1 142983 1 1 1 1 1 1 *622.0354*@1.0283513 raw intensity 11803 6624 5310 16195 19021 24298 6095 4219 1 1 1 1 1 1 1 1 1 15493 1 7192 6443 8246 6582 8735 14198 18727 21636 1 1 1 1 1 1 7515 17039 15556 6773 5872 4408 1 1 10701 27462 19519 20791 1 1 1 14901 15302 17788 1 1 15520 9866 8384 9968 11285 13394 8613 1 1 1 *764.1054*@1.0300001 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10285 28500 16573 1 1 1 1 1 1 *690.0848*@1.0151666 raw intensity 1 8144 1 17306 17767 1 1 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intensity 1 1 1 1 1 1 1 1 1 1 1 1 14317 1 13685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15841 16796 29014 1 1 1 1 1 1 1 1 1 1 1 14147 1 1 1 1 1 1 *632.3739*@1.2426666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5964 4459 1 1 1 1 1 1 *142.0655*@1.2404546 raw intensity 6837 1 1 1 1 1 1 1 1 1 1 1 16295 1 1 1 1 1 1 8725 1 5621 10570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13292 1 1 1 1 11725 1 1 1 1 21001 1 1 1 14799 15772 15109 1 1 1 1 1 1 *478.3194*@1.2023637 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29167 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 6526 1 1 1 1 1 1 1 1 1 17362 5338 1 1 6454 1 1 17646 1 25327 1 41853 1 19207 1 15992 1 1 *236.1139*@1.196 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9566 1 1 1 1 1 1 1 1 1 10578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47166 1 1 1 1 1 1 C4 H6 O3 raw intensity 11106 1 10918 1 10992 1 1 1 1 1 1 1 11371 9079 14889 1 1 1 1 1 17426 17589 16185 17291 14757 11913 12887 1 1 1 19395 18305 17627 1 1 9926 12681 1 1 1 1 8631 1 1 1 1 1 1 1 1 14581 1 1 1 1 1 10390 1 8002 1 1 1 1 *213.986*@1.241654 raw intensity 321878 1 1 1 1 1 1 1 518436 1 1 1837715 403777 452214 677107 702712 759054 690533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262024 642132 225396 398858 892620 1 268617 1 1 1 1 1 375703 392982 1 1 1 1 469752 514070 514823 579160 577747 607756 280911 301137 1 398594 1 1 *458.1959*@1.2416667 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16123 19499 1 1 1 1 1 1 *456.2888*@1.239 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9894 1 1 1 1 1 1 *654.415*@1.2371666 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21414 20703 1 1 1 1 1 1 1 7176 7481 6597 1 1 1 1 1 1 *490.3079*@1.196 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 17633 1 1 12726 19235 1 1 9809 9480 1 3241 1 4654 1 5240 19508 19384 20211 1 1 1 1 1 1 1 94632 1 18324 68173 1 7465 1 6283 22144 21352 26171 1 1 1 10838 1 18491 1 17658 14721 20782 1 1 22232 11953 22748 25284 12065 27446 1 1 1 1 1 50681 *495.2126*@1.5431666 raw intensity 1 1 53825 1 1 1 1 1 1 1 1 1 1 44797 1 1 1 1 1 1 1 1 1 1 1 21296 1 1 1 1 1 1 1 1 1 42482 9975 1 1 1 1 1 1 1 1 23364 1 24823 1 18609 1 1 1 1 27896 32310 30692 1 1 13126 1 1 1 *166.0151*@1.5544444 raw intensity 1 4516 1 4868 1 1 2663 1 1 1 5816 7215 1 5936 1 1 1 1 1 1 1 1 1 4029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3290 2634 1 1 1 1 1 1 *472.0737*@1.5055 raw intensity 1 1 1 1 1 1 1 1 1 1 1 8164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3524 1 3282 1 1 1 7901 8490 1 1 1 1 1 1 1 1 1 3935 1 1 1 1 1 1 *523.2431*@1.548 raw intensity 1 1 1 1 1 1 1 1 1 1 25670 1 1 1 1 1 1 1 1 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12453 1 1 1 1 1 1 *203.9705*@1.6149999 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1 12116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21195 20524 18206 1 1 1 1 1 1 *92.0468*@1.6157142 raw intensity 1 1 1 1 1 1 1 14714 1 1 20168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14457 1 1 1 1 20325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32118 44707 33025 1 1 1 1 1 1 *240.1729*@1.6123333 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31385 30144 28842 1 1 1 1 1 1 *575.3804*@1.614 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2940 1 1 1 1 1 1 *352.1948*@1.6356667 raw intensity 1 1 1 6107 1 1 1 1 1 1 1 1 1 1 6795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 1 1 1 1 1 1 *258.0669*@1.6100001 raw intensity 1 1 1 1 1 1 1 1 43878 12303 73921 76901 79705 100368 90478 1 1 1 1 1 1 1 1 74665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38266 1 1 1 1 1 1 *282.2545*@1.6156 raw intensity 1 1 1 1 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2177492 2415706 2435079 1 1885296 1883434 1902560 1 1 658330 1742562 1792877 685354 2303291 1 2324986 2454032 2434587 2488454 1502765 1469017 1476377 1664641 1 1 1882947 1 689554 C4 H6 O3 S raw intensity 1 13310 1 13904 11678 12112 10256 1 5570 10143 9994 12835 13202 12681 15790 1 1 1 1 1 1 21706 22116 23033 1 1 1 1 1 1 8686 9952 10191 1 1 1 1 1 1 1 1 8237 1 1 1 5627 7845 1 1 1 1 1 1 1 11059 15379 13671 6541 6162 1 1 1 1 *528.3107*@1.622 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3856 1 1 1 1 1 1 *450.1489*@1.6142222 raw intensity 14162 32356 26301 1 9213 1 13239 9397 1 1 13534 1 1 7831 8426 1 1 1 13755 17704 1 1 1 1 1 14895 1 61801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6492 5410 5393 1 11215 11495 1 1 1 1 1 1 *244.2009*@1.6230835 raw intensity 5735 1 1 5753 6220 6200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6919 5137 1 1 7979 1 7585 1 1 6366 1 1 1 1 1 1 1 8901 1 1 1 1 1 4991 5262 1 1 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intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24904 24833 25617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15675 15414 16158 1 1 1 1 1 1 1 1 1 1 1 1 *622.3167*@1.201 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *461.899*@1.202 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *214.148*@1.2016001 raw intensity 1 1 1 1 1 1 1 1 106130 1 1 1 1 1 1 1 1 90735 1 1 72618 1 1 39482 1 1 1 1 1 1 1 1 1 1 1 1 38303 1 36106 1 1 37199 1 1 1 1 30068 1 1 52636 1 1 1 1 1 18484 1 1 1 1 1 1 1 *284.2658*@1.224 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4922 1 1 1 1 1 1 1 1 1 1 *540.2785*@1.204 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 C9 H2 O5 S raw intensity 1 4403 1 6355 1 1 1 1 3092 1 1 1 1 4196 4833 1 1 1 8171 1 7116 7417 5892 5689 1 4680 5510 1 1 1 6270 5614 5550 4609 1 5448 6646 5754 5478 1 5136 1 1 1 1 5199 5269 5268 6022 1 7672 1 1 1 1 1 1 1 5544 6792 1 1 1 *261.9431*@1.208 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29448 29388 1 33998 32569 33171 1 1 1 1 1 1 1 1 1 29344 1 29046 1 1 1 16163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22946 1 1 1 1 1 1 18151 1 1 *366.9582*@1.209 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *1194.7303*@1.211 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15264 1 13069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *477.3372*@1.209 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 *458.1737*@1.2074286 raw intensity 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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