Mercurial > repos > mmonsoor > camera_combinexsannos
view test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv @ 6:ed26298f0246 draft
planemo upload commit f8a14a5bfd1843dc3f65b3f713c35dd62bf6996a-dirty
| author | lecorguille |
|---|---|
| date | Mon, 04 Jul 2016 11:57:19 -0400 |
| parents | 87570e9b71f5 |
| children | 198b035d4848 |
line wrap: on
line source
name mz mzmin mzmax rt rtmin rtmax npeaks KO WT isotopes adduct pcgroup isotopes.1 adduct.1 pcgroup.1 neg. Mode M208T3291 207.800003051758 207.800003051758 207.800003051758 3291.29196703023 3291.29196703023 3291.29196703023 1 1 0 2102 [M+H]+ 206.793 2102 Found [M+H]+/[M-H]- M210T3110 210.199996948242 210.199996948242 210.199996948242 3110.11088685014 3110.11088685014 3110.11088685014 1 1 0 5340 [M+H]+ 209.193 5340 Found [M+H]+/[M-H]- M228T3846 228.199996948242 228.199996948242 228.199996948242 3846.02686621606 3844.71679072309 3847.33694170903 2 1 1 [M+H-C6H8O6]+ 403.216 [M+2H-NH3]2+ 471.41 21 [M+H]+ 227.193 21 Found [M+H]+/[M-H]- M235T3976 234.900009155273 234.900009155273 234.900009155273 3976.03175698205 3976.03175698205 3976.03175698205 1 0 1 2000 [M+H]+ 233.893 2000 Found [M+H]+/[M-H]- M236T3873 236.199996948242 236.199996948242 236.199996948242 3872.50458166888 3872.50458166888 3872.50458166888 1 0 1 2733 [M+H]+ 235.193 2733 Found [M+H]+/[M-H]- M238T2755 238.199996948242 238.199996948242 238.199996948242 2754.64826033204 2754.64826033204 2754.64826033204 1 0 1 4595 [M+H]+ 237.193 4595 Found [M+H]+/[M-H]- M239T4130 239 239 239 4130.33844192957 4130.33844192957 4130.33844192957 1 0 1 1473 [M+H]+ 237.993 1473 Found [M+H]+/[M-H]- M250T4052 250.199996948242 250.199996948242 250.199996948242 4051.60950608857 4051.60950608857 4051.60950608857 1 1 0 77 [M+H]+ 249.193 77 Found [M+H]+/[M-H]- M258T3448 258.200012207031 258.200012207031 258.200012207031 3448.2651342683 3446.56346688244 3449.96680165415 2 1 1 2922 [M+H]+ 257.193 2922 Found [M+H]+/[M-H]- M261T2686 261.200012207031 261.200012207031 261.200012207031 2685.68075810517 2685.68075810517 2685.68075810517 1 0 1 640 [M+H]+ 260.193 640 Found [M+H]+/[M-H]- M266T3323 266.399993896484 266.399993896484 266.399993896484 3322.77149725563 3322.77149725563 3322.77149725563 1 0 1 16 [M+H]+ 265.393 16 Found [M+H]+/[M-H]- M275T2920 275.200012207031 275.200012207031 275.200012207031 2920.28496696996 2920.28496696996 2920.28496696996 1 0 1 2868 [M+H]+ 274.193 2868 Found [M+H]+/[M-H]- M276T3867_1 275.899993896484 275.899993896484 275.899993896484 3866.89893599656 3866.89893599656 3866.89893599656 1 1 0 21 [M+H]+ 274.893 21 Found [M+H]+/[M-H]- M276T2603 276.200012207031 276.200012207031 276.200012207031 2602.85397459635 2602.85397459635 2602.85397459635 1 1 0 5243 [M+H]+ 275.193 5243 Found [M+H]+/[M-H]- M284T3653 284.100006103516 284.100006103516 284.100006103516 3652.85708680252 3652.85708680252 3652.85708680252 1 1 0 [M+H-CH3]+ 298.114 47 [M+H]+ 283.093 47 Found [M+H]+/[M-H]- M287T4128 287.100006103516 287.100006103516 287.100006103516 4128.44542811787 4128.44542811787 4128.44542811787 1 1 0 23 [M+H]+ 286.093 23 Found [M+H]+/[M-H]- M304T3912 304 304 304 3911.73383581848 3911.73383581848 3911.73383581848 1 0 1 4817 [M+H]+ 302.993 4817 Found [M+H]+/[M-H]- M304T2622 304 304 304 2621.82968780046 2621.82968780046 2621.82968780046 1 0 1 2642 [M+H]+ 302.993 2642 Found [M+H]+/[M-H]- M310T3484 310.200012207031 310.200012207031 310.200012207031 3483.91470694154 3483.91470694154 3483.91470694154 1 1 0 [M+H-H20]+ 327.208 31 [M+H]+ 309.193 31 Found [M+H]+/[M-H]- M311T3667 311.200012207031 311.200012207031 311.200012207031 3667.39351291676 3667.39351291676 3667.39351291676 1 1 0 [M+H]+ 310.189 2 [M+H]+ 310.189 2 Found [M+H]+/[M-H]- M317T4122 317 317 317 4122.17726376076 4122.17726376076 4122.17726376076 1 1 0 1716 [M+H]+ 315.993 1716 Found [M+H]+/[M-H]- M319T3963 319.300018310547 319.300018310547 319.300018310547 3963.24477198361 3963.24477198361 3963.24477198361 1 0 1 1982 [M+H]+ 318.293 1982 Found [M+H]+/[M-H]- M326T3910 326.300018310547 326.300018310547 326.300018310547 3910.16592439504 3910.16592439504 3910.16592439504 1 0 1 4822 [M+H]+ 325.293 4822 Found [M+H]+/[M-H]- M329T3539 329 329 329 3538.57945160982 3538.57945160982 3538.57945160982 1 0 1 1952 [M+H]+ 327.993 1952 Found [M+H]+/[M-H]- M330T3500 330.200012207031 330.200012207031 330.200012207031 3500.20040677211 3496.75308645138 3503.64772709283 2 1 1 [2M+Na+K]2+ 299.215 76 [M+H]+ 329.193 76 Found [M+H]+/[M-H]- M333T3521 333 333 333 3520.57714024828 3520.57714024828 3520.57714024828 1 0 1 368 [M+H]+ 331.993 368 Found [M+H]+/[M-H]- M341T3309 341.200012207031 341.200012207031 341.200012207031 3308.58072998214 3308.58072998214 3308.58072998214 1 0 1 4 [M+H]+ 340.193 4 Found [M+H]+/[M-H]- M341T4172 341.399993896484 341.399993896484 341.399993896484 4172.42311655854 4172.42311655854 4172.42311655854 1 1 0 4369 [M+H]+ 340.393 4369 Found [M+H]+/[M-H]- M342T3038 342.300018310547 342.300018310547 342.300018310547 3038.15131755569 3038.15131755569 3038.15131755569 1 0 1 3220 [M+H]+ 341.293 3220 Found [M+H]+/[M-H]- M345T3788 345 345 345 3788.06929478123 3788.06929478123 3788.06929478123 1 0 1 4445 [M+H]+ 343.993 4445 Found [M+H]+/[M-H]- M348T3493 348.200012207031 348.200012207031 348.200012207031 3493.19473595505 3488.78600287563 3495.99683372091 3 1 2 31 [M+H]+ 347.193 31 Found [M+H]+/[M-H]- M349T4038 348.899993896484 348.899993896484 348.899993896484 4038.4655434023 4038.4655434023 4038.4655434023 1 0 1 3765 [M+H]+ 347.893 3765 Found [M+H]+/[M-H]- M350T3215 350 350 350 3214.6396934876 3214.6396934876 3214.6396934876 1 1 0 4315 [M+H]+ 348.993 4315 Found [M+H]+/[M-H]- M350T3484 350.200012207031 350.200012207031 350.200012207031 3484.15058009239 3484.15058009239 3484.15058009239 1 0 1 [41][M]+ [M+Na]+ 327.208 31 [41][M]+ [M+H]+ 349.193 31 Found [M+H]+/[M-H]- M354T4176 354.300018310547 354.300018310547 354.300018310547 4176.48836940693 4176.48836940693 4176.48836940693 1 0 1 4388 [M+H]+ 353.293 4388 Found [M+H]+/[M-H]- M361T3500 361 361 361 3499.90373818767 3499.90373818767 3499.90373818767 1 1 0 3374 [M+H]+ 359.993 3374 Found [M+H]+/[M-H]- M362T3394 362.300018310547 362.300018310547 362.300018310547 3394.46678522768 3394.46678522768 3394.46678522768 1 0 1 502 [M+H]+ 361.293 502 Found [M+H]+/[M-H]- M363T3890 363 363 363 3889.77519285019 3889.77519285019 3889.77519285019 1 0 1 2235 [M+H]+ 361.993 2235 Found [M+H]+/[M-H]- M369T4287 369.100006103516 369.100006103516 369.100006103516 4286.86322276304 4286.86322276304 4286.86322276304 1 1 0 6094 [M+H]+ 368.093 6094 Found [M+H]+/[M-H]- M371T4218 371.300018310547 371.300018310547 371.300018310547 4217.96617539246 4217.96617539246 4217.96617539246 1 1 0 5327 [M+H]+ 370.293 5327 Found [M+H]+/[M-H]- M372T4221 372.300018310547 372.300018310547 372.300018310547 4221.33434899811 4221.33434899811 4221.33434899811 1 0 1 5985 [M+H]+ 371.293 5985 Found [M+H]+/[M-H]- M375T2994 375.200012207031 375.200012207031 375.200012207031 2994.06985896253 2994.06985896253 2994.06985896253 1 0 1 32 [M+H]+ 374.193 32 Found [M+H]+/[M-H]- M378T3345 377.899993896484 377.899993896484 377.899993896484 3344.8775026371 3344.8775026371 3344.8775026371 1 1 0 802 [M+H]+ 376.893 802 Found [M+H]+/[M-H]- M396T4099 396.300018310547 396.300018310547 396.300018310547 4098.66503647187 4098.66503647187 4098.66503647187 2 1 0 150 [M+H]+ 395.293 150 Found [M+H]+/[M-H]- M399T3288 399 399 399 3287.55118520376 3287.55118520376 3287.55118520376 1 0 1 2111 [M+H]+ 397.993 2111 Found [M+H]+/[M-H]- M404T2691 404.100006103516 404.100006103516 404.100006103516 2690.57128216482 2690.57128216482 2690.57128216482 1 0 1 [M+H-H20]+ 421.11 6 [M+H]+ 403.093 6 Found [M+H]+/[M-H]- M406T3575 406 406 406 3574.63014348789 3574.63014348789 3574.63014348789 1 0 1 1668 [M+H]+ 404.993 1668 Found [M+H]+/[M-H]- M408T3956 408.300018310547 408.300018310547 408.300018310547 3955.84913291293 3955.84913291293 3955.84913291293 1 1 0 5459 [M+H]+ 407.293 5459 Found [M+H]+/[M-H]- M413T4059 413 413 413 4059.4167690378 4059.4167690378 4059.4167690378 1 0 1 4700 [M+H]+ 411.993 4700 Found [M+H]+/[M-H]- M415T3626 415.200012207031 415.200012207031 415.200012207031 3625.889727528 3625.889727528 3625.889727528 1 1 0 26 [M+H]+ 414.193 26 Found [M+H]+/[M-H]- M418T3317 418.399993896484 418.399993896484 418.399993896484 3316.91873178114 3316.91873178114 3316.91873178114 1 0 1 539 [M+H]+ 417.393 539 Found [M+H]+/[M-H]- M420T4187 420.399993896484 420.399993896484 420.399993896484 4186.55782122692 4186.55782122692 4186.55782122692 1 1 0 6064 [M+H]+ 419.393 6064 Found [M+H]+/[M-H]- M424T3310 424.399993896484 424.399993896484 424.399993896484 3310.1554922049 3310.1554922049 3310.1554922049 1 0 1 541 [M+H]+ 423.393 541 Found [M+H]+/[M-H]- M440T4055 440.300018310547 440.300018310547 440.300018310547 4055.33424681125 4054.35262823827 4056.31586538424 2 2 0 [M+H]+ 439.295 77 [M+H]+ 439.295 77 Found [M+H]+/[M-H]- M441T4111 441.100006103516 441.100006103516 441.100006103516 4111.42132545829 4111.42132545829 4111.42132545829 1 0 1 [M+K]+ 402.132 43 [M+H]+ 440.093 43 Found [M+H]+/[M-H]- M441T4127_2 441.100006103516 441.100006103516 441.100006103516 4126.89956529202 4126.89956529202 4126.89956529202 1 0 1 [M+Na]+ 418.1 23 [M+H]+ 440.093 23 Found [M+H]+/[M-H]- M443T3159 443 443 443 3158.51557850104 3158.51557850104 3158.51557850104 1 1 0 838 [M+H]+ 441.993 838 Found [M+H]+/[M-H]- M445T4143 444.899993896484 444.899993896484 444.899993896484 4142.9532295589 4142.9532295589 4142.9532295589 1 0 1 4236 [M+H]+ 443.893 4236 Found [M+H]+/[M-H]- M446T2893 446.200012207031 446.200012207031 446.200012207031 2892.58722465327 2892.58722465327 2892.58722465327 1 1 0 [M+Na]+ 423.211 95 [M+H]+ 445.193 95 Found [M+H]+/[M-H]- M447T4144 446.899993896484 446.899993896484 446.899993896484 4143.9632134336 4143.9632134336 4143.9632134336 1 0 1 5839 [M+H]+ 445.893 5839 Found [M+H]+/[M-H]- M447T4119 447.100006103516 447.100006103516 447.100006103516 4119.30268860621 4119.30268860621 4119.30268860621 1 0 1 120 [M+H]+ 446.093 120 Found [M+H]+/[M-H]- M453T3745 453.100006103516 453.100006103516 453.100006103516 3745.49127859189 3745.49127859189 3745.49127859189 1 1 0 [M+H]+ 452.1 14 [M+H]+ 452.1 14 Found [M+H]+/[M-H]- M461T3139 461.100006103516 461.100006103516 461.100006103516 3139.30178915582 3139.30178915582 3139.30178915582 1 0 1 [2M+Na+K-H]+ 200.089 67 [M+H]+ 460.093 67 Found [M+H]+/[M-H]- M462T2597 461.899993896484 461.899993896484 461.899993896484 2596.59397459635 2596.59397459635 2596.59397459635 1 1 0 2880 [M+H]+ 460.893 2880 Found [M+H]+/[M-H]- M465T4110 465.100006103516 465.100006103516 465.100006103516 4109.84516095031 4106.73892937947 4109.84516095031 3 0 2 [M+H-CO]+ 492.092 43 [M+H]+ 464.093 43 Found [M+H]+/[M-H]- M469T4110 469 469 469 4109.84004353069 4109.84004353069 4109.84004353069 1 0 1 43 [M+H]+ 467.993 43 Found [M+H]+/[M-H]- M482T3312 482.200012207031 482.200012207031 482.200012207031 3311.84592526338 3310.1554922049 3320.00602941677 3 1 2 4 [M+H]+ 481.193 4 Found [M+H]+/[M-H]- M486T3726_2 486 486 486 3725.70378168979 3723.46990095085 3727.93766242873 2 1 1 4683 [M+H]+ 484.993 4683 Found [M+H]+/[M-H]- M486T3654 486.100006103516 486.100006103516 486.100006103516 3654.3034227609 3654.3034227609 3654.3034227609 1 0 1 2410 [M+H]+ 485.093 2410 Found [M+H]+/[M-H]- M493T2872 493 493 493 2872.43169931851 2872.43169931851 2872.43169931851 1 0 1 4766 [M+H]+ 491.993 4766 Found [M+H]+/[M-H]- M494T3069 494.300018310547 494.300018310547 494.300018310547 3069.1084825778 3069.1084825778 3069.1084825778 1 1 0 48 [M+H]+ 493.293 48 Found [M+H]+/[M-H]- M495T3465 495 495 495 3465.11864061023 3465.11864061023 3465.11864061023 1 1 0 1283 [M+H]+ 493.993 1283 Found [M+H]+/[M-H]- M518T3975 518 518 518 3975.06650309073 3975.06650309073 3975.06650309073 1 1 0 2059 [M+H]+ 516.993 2059 Found [M+H]+/[M-H]- M520T4132 520.400024414062 520.400024414062 520.400024414062 4131.5173144866 4131.5173144866 4131.5173144866 1 1 0 [M+H]+ 519.397 23 [M+H]+ 519.397 23 Found [M+H]+/[M-H]- M522T2525 522 522 522 2524.60597459635 2524.60597459635 2524.60597459635 1 1 0 [M+H]+ 520.991 5042 [M+H]+ 520.991 5042 Found [M+H]+/[M-H]- M528T4044 528.299987792969 528.299987792969 528.299987792969 4043.65478609327 4043.65478609327 4043.65478609327 1 0 1 106 [M+H]+ 527.293 106 Found [M+H]+/[M-H]- M534T2893_1 534 534 534 2893.43940086615 2893.43940086615 2893.43940086615 1 0 1 95 [M+H]+ 532.993 95 Found [M+H]+/[M-H]- M534T3169 534.299987792969 534.299987792969 534.299987792969 3169.25148487446 3169.25148487446 3169.25148487446 1 1 0 791 [M+H]+ 533.293 791 Found [M+H]+/[M-H]- M539T2671 538.900024414062 538.900024414062 538.900024414062 2671.01298815173 2671.01298815173 2671.01298815173 1 1 0 4057 [M+H]+ 537.893 4057 Found [M+H]+/[M-H]- M541T2916 541.200012207031 541.200012207031 541.200012207031 2915.96882550519 2915.96882550519 2915.96882550519 1 1 0 56 [M+H]+ 540.193 56 Found [M+H]+/[M-H]- M542T4146 542.5 542.5 542.5 4145.51429793861 4145.51429793861 4145.51429793861 1 0 1 219 [M+H]+ 541.493 219 Found [M+H]+/[M-H]- M545T3858 545 545 545 3857.79163814401 3857.79163814401 3857.79163814401 1 1 0 1418 [M+H]+ 543.993 1418 Found [M+H]+/[M-H]- M546T3196 546.200012207031 546.200012207031 546.200012207031 3196.03297484936 3194.01201990731 3198.0539297914 2 1 1 [M+H]+ 545.2 30 [M+H]+ 545.2 30 Found [M+H]+/[M-H]- M546T3373 546.299987792969 546.299987792969 546.299987792969 3372.50532490707 3372.50532490707 3372.50532490707 1 0 1 1591 [M+H]+ 545.293 1591 Found [M+H]+/[M-H]- M547T2882 546.900024414062 546.900024414062 546.900024414062 2881.52679761665 2881.52679761665 2881.52679761665 1 1 0 131 [M+H]+ 545.893 131 Found [M+H]+/[M-H]- M547T2930 546.900024414062 546.900024414062 546.900024414062 2929.96472679346 2929.96472679346 2929.96472679346 1 0 1 3632 [M+H]+ 545.893 3632 Found [M+H]+/[M-H]- M548T4180_2 548.100036621094 548.100036621094 548.100036621094 4180.12028828767 4180.12028828767 4180.12028828767 1 1 0 6024 [M+H]+ 547.093 6024 Found [M+H]+/[M-H]- M551T3507 551.100036621094 551.100036621094 551.100036621094 3507.17741350176 3507.17741350176 3507.17741350176 1 1 0 76 [M+H]+ 550.093 76 Found [M+H]+/[M-H]- M552T3631 552.299987792969 552.299987792969 552.299987792969 3630.7372705795 3630.7372705795 3630.7372705795 1 0 1 2359 [M+H]+ 551.293 2359 Found [M+H]+/[M-H]- M552T3836 552.400024414062 552.400024414062 552.400024414062 3835.51794589405 3835.51794589405 3835.51794589405 1 0 1 3360 [M+H]+ 551.393 3360 Found [M+H]+/[M-H]- M552T2806 552.5 552.5 552.5 2805.77058037431 2805.77058037431 2805.77058037431 1 0 1 154 [M+H]+ 551.493 154 Found [M+H]+/[M-H]- M555T2628 554.799987792969 554.799987792969 554.799987792969 2628.03802468566 2628.03802468566 2628.03802468566 1 1 0 2677 [M+H]+ 553.793 2677 Found [M+H]+/[M-H]- M560T3524 560.100036621094 560.100036621094 560.100036621094 3524.45539948538 3524.45539948538 3524.45539948538 1 1 0 363 [M+H]+ 559.093 363 Found [M+H]+/[M-H]- M561T3500 560.900024414062 560.900024414062 560.900024414062 3499.5907337547 3499.5907337547 3499.5907337547 1 0 1 3396 [M+H]+ 559.893 3396 Found [M+H]+/[M-H]- M566T2712 566 566 566 2712.46713466996 2712.46713466996 2712.46713466996 1 1 0 2531 [M+H]+ 564.993 2531 Found [M+H]+/[M-H]- M567T2630 566.799987792969 566.799987792969 566.799987792969 2629.63309270258 2629.63309270258 2629.63309270258 1 1 0 2685 [M+H]+ 565.793 2685 Found [M+H]+/[M-H]- M570T3689 570.5 570.5 570.5 3689.29376228834 3689.29376228834 3689.29376228834 1 0 1 617 [M+H]+ 569.493 617 Found [M+H]+/[M-H]- M572T2893 571.600036621094 571.600036621094 571.600036621094 2892.58722465327 2892.58722465327 2892.58722465327 1 1 0 95 [M+H]+ 570.593 95 Found [M+H]+/[M-H]- M574T2913 573.700012207031 573.700012207031 573.700012207031 2912.8908895169 2912.8908895169 2912.8908895169 1 1 0 [M+H]+ 572.692 56 [M+H]+ 572.692 56 Found [M+H]+/[M-H]- M575T2527 574.700012207031 574.700012207031 574.700012207031 2527.16708488001 2527.16708488001 2527.16708488001 1 0 1 5962 [M+H]+ 573.693 5962 Found [M+H]+/[M-H]- M578T2852 578.299987792969 578.299987792969 578.299987792969 2852.41195305107 2849.90816808503 2854.91573801711 2 1 1 111 [M+H]+ 577.293 111 Found [M+H]+/[M-H]- M578T3834 578.400024414062 578.400024414062 578.400024414062 3834.20284641246 3834.20284641246 3834.20284641246 1 1 0 3346 [M+H]+ 577.393 3346 Found [M+H]+/[M-H]- M580T3296 579.5 579.5 579.5 3296.04055494637 3296.04055494637 3296.04055494637 1 1 0 2610 [M+H]+ 578.493 2610 Found [M+H]+/[M-H]- M582T3848_2 582.5 582.5 582.5 3847.90453079719 3847.90453079719 3847.90453079719 1 1 0 [M+H]+ 581.493 21 [M+H]+ 581.493 21 Found [M+H]+/[M-H]- M583T3496 583 583 583 3496.27878193711 3496.27878193711 3496.27878193711 1 1 0 3516 [M+H]+ 581.993 3516 Found [M+H]+/[M-H]- M583T2581 583.400024414062 583.400024414062 583.400024414062 2581.23728676082 2581.23728676082 2581.23728676082 1 1 0 5692 [M+H]+ 582.393 5692 Found [M+H]+/[M-H]- M584T2539 584.400024414062 584.400024414062 584.400024414062 2538.69097459635 2538.69097459635 2538.69097459635 1 1 0 5558 [M+H]+ 583.393 5558 Found [M+H]+/[M-H]- M586T2762 585.900024414062 585.900024414062 585.900024414062 2761.59491820405 2761.59491820405 2761.59491820405 1 1 0 94 [M+H]+ 584.893 94 Found [M+H]+/[M-H]- M592T4176 591.5 591.5 591.5 4175.56395558154 4175.56395558154 4175.56395558154 1 1 0 115 [M+H]+ 590.493 115 Found [M+H]+/[M-H]- M593T3448 593.299987792969 593.299987792969 593.299987792969 3448.42769567721 3448.42769567721 3448.42769567721 1 0 1 2939 [M+H]+ 592.293 2939 Found [M+H]+/[M-H]- M596T4172 596.100036621094 596.100036621094 596.100036621094 4172.42311655854 4172.42311655854 4172.42311655854 1 1 0 4425 [M+H]+ 595.093 4425 Found [M+H]+/[M-H]- M597T2724 596.799987792969 596.799987792969 596.799987792969 2723.73277209484 2723.73277209484 2723.73277209484 1 0 1 2540 [M+H]+ 595.793 2540 Found [M+H]+/[M-H]- M598T2738 597.799987792969 597.799987792969 597.799987792969 2737.68724200948 2737.68724200948 2737.68724200948 1 0 1 4444 [M+H]+ 596.793 4444 Found [M+H]+/[M-H]- M598T3811 598.299987792969 598.299987792969 598.299987792969 3810.99738439489 3810.99738439489 3810.99738439489 1 1 0 46 [M+H]+ 597.293 46 Found [M+H]+/[M-H]- M598T3177 598.5 598.5 598.5 3176.86596447828 3176.86596447828 3176.86596447828 1 1 0 801 [M+H]+ 597.493 801 Found [M+H]+/[M-H]-