diff test-data/similarity/fill.mgf @ 4:966b4134ad12 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
author recetox
date Tue, 18 Oct 2022 11:02:18 +0000
parents 60f34912b3de
children
line wrap: on
line diff
--- a/test-data/similarity/fill.mgf	Wed Sep 21 15:29:51 2022 +0000
+++ b/test-data/similarity/fill.mgf	Tue Oct 18 11:02:18 2022 +0000
@@ -232,2282 +232,3 @@
 1088.6773 21466528.0 
 1089.682 9948820.0 
 END IONS
-
-BEGIN IONS
-NAME=C007
-IONMODE=Negative
-RETENTIONTIME=568.2
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=15
-186.0063 3083451.0 
-188.0007 52041531.0 
-189.0039 2523814.0 
-221.2257 2567396.0 
-222.6244 3385929.0 
-229.0269 867587.0 
-233.1437 3922399.0 
-234.1324 59050456.0 
-239.2372 26344305.0 
-240.2407 4459744.0 
-357.238 7379522.0 
-358.2442 106872298.0 
-426.2308 5286033.0 
-477.2519 11827163.0 
-585.9028 8902947.0 
-END IONS
-
-BEGIN IONS
-NAME=C008
-IONMODE=Negative
-RETENTIONTIME=429.17
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=15
-115.0544 5827739.0 
-201.0585 12214676.0 
-236.1231 1734151.0 
-256.26 2558551.0 
-286.1443 678064374.0 
-287.1479 122889402.0 
-308.126 22425844.0 
-309.1297 4382098.0 
-376.2598 104678013.0 
-377.263 22500000.0 
-393.2867 29696724.0 
-398.2416 23513763.0 
-444.2974 1144591.0 
-475.3648 10668083.0 
-593.2789 15955209.0 
-END IONS
-
-BEGIN IONS
-NAME=C009
-IONMODE=Negative
-RETENTIONTIME=456.73
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=14
-130.1826 3436249.0 
-278.6264 17428500.0 
-287.6336 113569471.0 
-335.1682 10461098.0 
-520.3407 5225209356.0 
-521.3439 1495548391.0 
-539.2937 5768815.0 
-806.9648 10540710.0 
-807.9689 5556917.0 
-997.6248 14800316.0 
-1021.6269 12502966.0 
-1039.675 296334239.0 
-1040.6772 169704741.0 
-1067.6364 10969869.0 
-END IONS
-
-BEGIN IONS
-NAME=C010
-IONMODE=Negative
-RETENTIONTIME=438.79
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=13
-183.0814 2981313.0 
-282.1334 7996578.0 
-298.6263 5761949.0 
-381.2584 6633225.0 
-468.3091 298660480.0 
-469.3122 74605200.0 
-470.3144 10513291.0 
-490.2906 10495863.0 
-491.2968 2431955.0 
-492.3091 14962230.0 
-500.2783 12422814.0 
-501.282 3263594.0 
-564.3067 4795194.0 
-END IONS
-
-BEGIN IONS
-NAME=C011
-IONMODE=Negative
-RETENTIONTIME=465.31
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=13
-125.0 16887384.0 
-184.0736 110532874.0 
-300.6409 12001615.0 
-504.3095 29428619.0 
-505.3163 6772098.0 
-528.3083 30967171.0 
-529.3094 8108676.0 
-546.3555 383799553.0 
-547.3446 131983322.0 
-782.9657 2439709.0 
-1041.6834 90837006.0 
-1042.6858 34768516.0 
-1066.6536 18333740.0 
-END IONS
-
-BEGIN IONS
-NAME=C012
-IONMODE=Negative
-RETENTIONTIME=39.22
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=11
-96.9225 62967962.0 
-154.8822 2030207.0 
-170.8763 4123908.0 
-212.8395 8994833.0 
-272.7962 13679316.0 
-288.779 8191056.0 
-290.7977 4568865.0 
-404.6892 8814347.0 
-420.6603 3664599.0 
-422.7095 4562755.0 
-480.6509 3562470.0 
-END IONS
-
-BEGIN IONS
-NAME=C013
-IONMODE=Negative
-RETENTIONTIME=39.48
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=11
-122.0613 1727162.0 
-169.0486 13872724.0 
-203.0531 167631100.0 
-226.0764 9468969.0 
-227.0272 16535154.0 
-249.0624 25609635.0 
-250.0554 3024291.0 
-264.9601 15156116.0 
-389.1367 13765849.0 
-506.6274 6372061.0 
-726.5993 1311674.0 
-END IONS
-
-BEGIN IONS
-NAME=C014
-IONMODE=Negative
-RETENTIONTIME=39.33
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=11
-176.0633 15979877.0 
-210.0505 15449502.0 
-268.0083 1320856.0 
-332.7687 6016647.0 
-390.7218 11447541.0 
-402.7508 6210443.0 
-444.6803 4780956.0 
-448.6698 9824962.0 
-452.7387 5475678.0 
-564.5853 3917503.0 
-632.5996 1288164.0 
-END IONS
-
-BEGIN IONS
-NAME=C015
-IONMODE=Negative
-RETENTIONTIME=458.34
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=11
-133.0392 2377532.0 
-544.3404 1225750896.0 
-545.3439 374466023.0 
-559.3 18421012.0 
-570.3554 115918953.0 
-571.3534 37301377.0 
-592.3319 1860147.0 
-818.9649 6824176.0 
-1063.6731 134466308.0 
-1064.6791 79612422.0 
-1065.6812 34277415.0 
-END IONS
-
-BEGIN IONS
-NAME=C016
-IONMODE=Negative
-RETENTIONTIME=38.05
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=10
-117.0558 8912239.0 
-123.0133 6506577.0 
-125.9853 20256452.0 
-128.0168 3493680.0 
-152.0216 58787867.0 
-154.0796 17471055.0 
-200.0631 54989442.0 
-214.0165 5828884.0 
-225.0469 59892950.0 
-262.1042 1191413.0 
-END IONS
-
-BEGIN IONS
-NAME=C017
-IONMODE=Negative
-RETENTIONTIME=39.26
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=10
-135.0046 68491054.0 
-192.9904 3145024.0 
-236.9895 3334317.0 
-251.1353 4829854.0 
-261.0198 6541108.0 
-262.9367 1798075.0 
-308.8763 7782902.0 
-310.8765 7492963.0 
-320.9624 4504376.0 
-326.8343 5180455.0 
-END IONS
-
-BEGIN IONS
-NAME=C018
-IONMODE=Negative
-RETENTIONTIME=454.48
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=10
-396.3107 5070738.0 
-460.2793 3911971.0 
-478.2937 332073307.0 
-479.2975 82619606.0 
-502.294 203097896.0 
-503.2971 56245739.0 
-819.9685 3407741.0 
-979.5825 2776558.0 
-1079.1344 12647964.0 
-1080.1364 4163189.0 
-END IONS
-
-BEGIN IONS
-NAME=C019
-IONMODE=Negative
-RETENTIONTIME=42.78
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-114.9111 32990841.0 
-164.9322 7431207.0 
-216.0284 1605907.0 
-365.9668 1446420.0 
-389.9726 11145004.0 
-405.9475 5844544.0 
-447.9245 2426472.0 
-505.8763 1329836.0 
-507.8783 648316.0 
-END IONS
-
-BEGIN IONS
-NAME=C020
-IONMODE=Negative
-RETENTIONTIME=54.99
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-174.0125 36962385.0 
-198.0937 131560403.0 
-293.0983 2422772404.0 
-294.1014 257775459.0 
-295.102 32422311.0 
-347.0176 47407058.0 
-348.021 4803964.0 
-638.0996 10689139.0 
-661.0894 2312323.0 
-END IONS
-
-BEGIN IONS
-NAME=C021
-IONMODE=Negative
-RETENTIONTIME=38.53
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-156.0426 222394961.0 
-158.0428 18805186.0 
-214.8414 9188386.0 
-219.0263 57128369.0 
-221.0125 4427671.0 
-243.0514 5726028.0 
-266.0228 865794.0 
-300.917 1014846.0 
-476.8048 4253268.0 
-END IONS
-
-BEGIN IONS
-NAME=C022
-IONMODE=Negative
-RETENTIONTIME=39.11
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-270.8003 10913935.0 
-328.7861 5462630.0 
-446.6714 9101385.0 
-466.7313 4933554.0 
-514.696 3743953.0 
-582.6038 3668915.0 
-640.5143 1982245.0 
-816.3996 1639206.0 
-830.3697 1650429.0 
-END IONS
-
-BEGIN IONS
-NAME=C023
-IONMODE=Negative
-RETENTIONTIME=41.74
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-146.0645 18564145.0 
-170.0751 7231551.0 
-188.0708 86813172.0 
-205.0972 60709701.0 
-206.1002 7041628.0 
-232.9318 25933446.0 
-253.1035 6018088.0 
-286.9372 7044982.0 
-355.0172 4540271.0 
-END IONS
-
-BEGIN IONS
-NAME=C024
-IONMODE=Negative
-RETENTIONTIME=556.73
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-95.0857 4595720.0 
-199.1466 1069553.0 
-201.1645 1071554.0 
-213.1634 1358632.0 
-255.2054 2246657.0 
-269.2251 98997424.0 
-270.2293 21011406.0 
-271.2328 1949807.0 
-286.2294 4043920.0 
-END IONS
-
-BEGIN IONS
-NAME=C025
-IONMODE=Negative
-RETENTIONTIME=480.14
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-339.2894 7507144.0 
-462.2982 1796039.0 
-480.3242 225142434.0 
-481.3283 57405909.0 
-530.3239 6943908.0 
-572.372 31453561.0 
-573.3745 10605576.0 
-975.643 9623856.0 
-976.6459 4287929.0 
-END IONS
-
-BEGIN IONS
-NAME=C026
-IONMODE=Negative
-RETENTIONTIME=426.54
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-209.1227 23179929.0 
-251.08 18575424.0 
-252.1154 2039708.0 
-344.2799 20088935.0 
-345.2809 4025576.0 
-368.2797 23024870.0 
-369.2898 5324942.0 
-388.2683 3724460.0 
-447.3136 1897988.0 
-END IONS
-
-BEGIN IONS
-NAME=C027
-IONMODE=Negative
-RETENTIONTIME=416.01
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=9
-121.0995 3144992.0 
-198.1856 2059762.0 
-255.1628 4097834.0 
-342.2643 34920216.0 
-366.2639 4336343.0 
-386.2863 4324224.0 
-389.2772 2055946.0 
-512.3351 37021229.0 
-513.3327 8866978.0 
-END IONS
-
-BEGIN IONS
-NAME=C028
-IONMODE=Negative
-RETENTIONTIME=49
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=8
-160.0625 82372331.0 
-331.0539 60780528.0 
-332.0574 6460288.0 
-381.9922 2334231.0 
-629.1524 6206440.0 
-651.1352 4440552.0 
-660.0826 3422585.0 
-682.0634 1513098.0 
-END IONS
-
-BEGIN IONS
-NAME=C029
-IONMODE=Negative
-RETENTIONTIME=38.86
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=8
-125.0255 4719310.0 
-162.1127 308309016.0 
-163.1147 22045846.0 
-184.0929 81708077.0 
-185.0673 10137160.0 
-322.132 1735238.0 
-496.9328 4556080.0 
-668.7844 2318264.0 
-END IONS
-
-BEGIN IONS
-NAME=C030
-IONMODE=Negative
-RETENTIONTIME=40.08
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=8
-98.0603 11371093.0 
-161.0222 5114176.0 
-164.0967 2446073.0 
-285.099 18100021.0 
-348.9972 7635486.0 
-354.0305 3727355.0 
-570.8778 3644920.0 
-588.8371 1855891.0 
-END IONS
-
-BEGIN IONS
-NAME=C031
-IONMODE=Negative
-RETENTIONTIME=494.99
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=8
-253.2492 1397116.0 
-510.3567 277170353.0 
-511.3593 74813283.0 
-512.41 43155571.0 
-524.3373 4406739555.0 
-532.3395 6128954.0 
-533.3443 1713625.0 
-543.8175 3281220.0 
-END IONS
-
-BEGIN IONS
-NAME=C032
-IONMODE=Negative
-RETENTIONTIME=410.48
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=8
-414.3008 67174004.0 
-415.3041 18837411.0 
-432.311 48052180.0 
-433.3164 14051812.0 
-434.3163 2103190.0 
-450.3216 33099069.0 
-451.325 9279876.0 
-504.2415 3861767.0 
-END IONS
-
-BEGIN IONS
-NAME=C033
-IONMODE=Negative
-RETENTIONTIME=40.16
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-86.0965 55329962.0 
-87.0961 3259767.0 
-103.0535 11371875.0 
-120.0803 58687086.0 
-121.0765 5168117.0 
-180.0807 13815076.0 
-202.0618 5186609.0 
-END IONS
-
-BEGIN IONS
-NAME=C034
-IONMODE=Negative
-RETENTIONTIME=39.56
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-116.0619 120691918.0 
-144.0965 108611017.0 
-145.0982 8354818.0 
-157.0492 41677273.0 
-166.0846 178192881.0 
-167.0832 14989742.0 
-182.0634 130373801.0 
-END IONS
-
-BEGIN IONS
-NAME=C035
-IONMODE=Negative
-RETENTIONTIME=37.63
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-112.9034 85545886.0 
-222.8686 13769163.0 
-238.8437 5325572.0 
-240.84 3365303.0 
-280.8314 5214305.0 
-296.8089 2240176.0 
-298.8014 2106450.0 
-END IONS
-
-BEGIN IONS
-NAME=C036
-IONMODE=Negative
-RETENTIONTIME=37.64
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-398.7404 8038976.0 
-408.755 8487354.0 
-414.7157 5404259.0 
-464.7339 2837872.0 
-472.6761 3956681.0 
-474.6969 3506445.0 
-532.6307 2766988.0 
-END IONS
-
-BEGIN IONS
-NAME=C037
-IONMODE=Negative
-RETENTIONTIME=38.66
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-124.0559 1972246.0 
-168.0896 1964344.0 
-191.0391 31256068.0 
-244.0998 1402698.0 
-318.9532 6922130.0 
-364.9531 3274488.0 
-508.7699 6827792.0 
-END IONS
-
-BEGIN IONS
-NAME=C038
-IONMODE=Negative
-RETENTIONTIME=17.56
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-89.94 9040424.0 
-113.9639 884114874.0 
-117.9597 13415776.0 
-130.9667 51395622.0 
-141.9589 178232538.0 
-158.9616 128816272.0 
-299.9124 1880980.0 
-END IONS
-
-BEGIN IONS
-NAME=C039
-IONMODE=Negative
-RETENTIONTIME=568.17
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-109.0936 3367194.0 
-313.2743 49761422.0 
-314.2779 10250020.0 
-331.284 25330864.0 
-332.288 5165351.0 
-353.2668 14412912.0 
-378.7574 2750830.0 
-END IONS
-
-BEGIN IONS
-NAME=C040
-IONMODE=Negative
-RETENTIONTIME=387.74
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-163.086 4875483.0 
-181.0835 84943549.0 
-211.1705 9133246.0 
-223.1099 46655050.0 
-224.1132 5667427.0 
-448.3062 12015194.0 
-626.3529 4834637.0 
-END IONS
-
-BEGIN IONS
-NAME=C041
-IONMODE=Negative
-RETENTIONTIME=453.17
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-493.3513 4170416.0 
-526.294 130284635.0 
-527.2969 38181651.0 
-538.2924 3722053.0 
-568.34 320070712.0 
-569.3431 103890431.0 
-590.322 5188496.0 
-END IONS
-
-BEGIN IONS
-NAME=C042
-IONMODE=Negative
-RETENTIONTIME=494.9
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-281.652 16902444.0 
-421.2329 9340554.0 
-464.314 19745728.0 
-465.3171 4874193.0 
-506.3605 33858286.0 
-507.3635 10018492.0 
-548.3718 57710648.0 
-END IONS
-
-BEGIN IONS
-NAME=C043
-IONMODE=Negative
-RETENTIONTIME=496.93
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-91.0544 7737151.0 
-121.0291 104312995.0 
-149.0237 1046269875.0 
-303.1553 88839098.0 
-327.2198 14111373.0 
-371.2241 2045984.0 
-583.4371 5272741.0 
-END IONS
-
-BEGIN IONS
-NAME=C044
-IONMODE=Negative
-RETENTIONTIME=439.39
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=7
-415.212 83379727.0 
-416.2152 22144229.0 
-432.2384 4602293.0 
-437.1949 23384573.0 
-438.1974 6181203.0 
-453.1967 6996965.0 
-514.3191 7670834.0 
-END IONS
-
-BEGIN IONS
-NAME=C045
-IONMODE=Negative
-RETENTIONTIME=38.72
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-85.0374 922414.0 
-204.1232 104594587.0 
-220.0361 3822478.0 
-424.7473 5143002.0 
-482.7147 3819577.0 
-526.6926 3098115.0 
-END IONS
-
-BEGIN IONS
-NAME=C046
-IONMODE=Negative
-RETENTIONTIME=522.9
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-680.4293 23371624.0 
-681.433 10790523.0 
-693.4366 6450701.0 
-694.4422 2967375.0 
-942.6132 7409370.0 
-1204.2998 12180905.0 
-END IONS
-
-BEGIN IONS
-NAME=C047
-IONMODE=Negative
-RETENTIONTIME=568.96
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-522.8873 4794972.0 
-523.885 65066801.0 
-524.8874 7166738.0 
-688.5201 14341797.0 
-689.5235 6478555.0 
-715.4799 3672190.0 
-END IONS
-
-BEGIN IONS
-NAME=C048
-IONMODE=Negative
-RETENTIONTIME=570.42
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-596.8946 15091259.0 
-597.9015 7000919.0 
-598.909 2264745.0 
-609.9019 3635412.0 
-762.0311 5271486.0 
-775.5467 2217744.0 
-END IONS
-
-BEGIN IONS
-NAME=C049
-IONMODE=Negative
-RETENTIONTIME=548.99
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-637.3061 40025984.0 
-638.3092 14899454.0 
-639.3125 2997621.0 
-654.3336 5820376.0 
-655.3356 2193767.0 
-659.2881 4514707.0 
-END IONS
-
-BEGIN IONS
-NAME=C050
-IONMODE=Negative
-RETENTIONTIME=562.13
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-281.2478 1427835.0 
-335.167 30837870.0 
-336.1723 5451925.0 
-339.1624 1173554.0 
-376.1936 9206685.0 
-665.4442 1293707.0 
-END IONS
-
-BEGIN IONS
-NAME=C051
-IONMODE=Negative
-RETENTIONTIME=456.67
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-291.6451 4435338.0 
-299.6334 26082055.0 
-566.3211 20198673.0 
-567.3244 5871222.0 
-1085.656 2558054.0 
-1090.6457 6272992.0 
-END IONS
-
-BEGIN IONS
-NAME=C052
-IONMODE=Negative
-RETENTIONTIME=478.9
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-127.2741 3285476.0 
-256.0036 7683803.0 
-297.1488 7327555.0 
-353.0562 14621952.0 
-536.308 48824542.0 
-537.3106 11482454.0 
-END IONS
-
-BEGIN IONS
-NAME=C053
-IONMODE=Negative
-RETENTIONTIME=500.02
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-468.3899 33971049.0 
-604.3847 8198417.0 
-605.413 7101524.0 
-606.4209 1836398.0 
-609.34 9554282.0 
-610.3361 3888670.0 
-END IONS
-
-BEGIN IONS
-NAME=C054
-IONMODE=Negative
-RETENTIONTIME=491.71
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=6
-163.0757 4155052.0 
-313.1321 10599434.0 
-335.1258 3732806.0 
-365.1362 2964850.0 
-395.2774 12115107.0 
-399.2528 20584280.0 
-END IONS
-
-BEGIN IONS
-NAME=C055
-IONMODE=Negative
-RETENTIONTIME=38.64
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-148.083 6444124.0 
-150.9966 13505497.0 
-258.0099 3216933.0 
-278.8998 1588478.0 
-280.0989 11446380.0 
-END IONS
-
-BEGIN IONS
-NAME=C056
-IONMODE=Negative
-RETENTIONTIME=50.55
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-143.0804 9023795.0 
-235.0874 30725201.0 
-247.0975 42192032.0 
-315.08 444337895.0 
-316.0837 48279316.0 
-END IONS
-
-BEGIN IONS
-NAME=C057
-IONMODE=Negative
-RETENTIONTIME=39.38
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-138.05 11589913.0 
-274.8004 7399559.0 
-386.7156 5744862.0 
-504.6304 5051649.0 
-584.623 2769986.0 
-END IONS
-
-BEGIN IONS
-NAME=C058
-IONMODE=Negative
-RETENTIONTIME=37.83
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-136.0489 91083916.0 
-400.7495 6533309.0 
-410.7787 4155900.0 
-528.7721 2343823.0 
-542.6812 3135865.0 
-END IONS
-
-BEGIN IONS
-NAME=C059
-IONMODE=Negative
-RETENTIONTIME=38.84
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-192.0572 5685906.0 
-208.0701 7862862.0 
-209.0731 140532642.0 
-373.9241 1194415.0 
-490.8177 16128577.0 
-END IONS
-
-BEGIN IONS
-NAME=C060
-IONMODE=Negative
-RETENTIONTIME=521.59
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-668.4305 8028504.0 
-669.4357 4028528.0 
-930.1118 2367648.0 
-931.117 1841159.0 
-1192.2996 4150468.0 
-END IONS
-
-BEGIN IONS
-NAME=C061
-IONMODE=Negative
-RETENTIONTIME=573.21
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-226.6269 3415692.0 
-265.2529 9899139.0 
-266.2547 1785474.0 
-371.2519 8233366.0 
-701.5302 1157410.0 
-END IONS
-
-BEGIN IONS
-NAME=C062
-IONMODE=Negative
-RETENTIONTIME=404.94
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-272.2095 7792653.0 
-277.2131 11416355.0 
-296.2306 10660434.0 
-353.2304 32739905.0 
-373.2739 9818194.0 
-END IONS
-
-BEGIN IONS
-NAME=C063
-IONMODE=Negative
-RETENTIONTIME=388.92
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-292.6357 2008767.0 
-585.271 56140774.0 
-586.2757 19804349.0 
-587.2789 3756282.0 
-601.2667 3868276.0 
-END IONS
-
-BEGIN IONS
-NAME=C064
-IONMODE=Negative
-RETENTIONTIME=477.39
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-330.04 9899883.0 
-438.2983 22072874.0 
-439.3032 4759535.0 
-518.3223 174628688.0 
-519.326 47361590.0 
-END IONS
-
-BEGIN IONS
-NAME=C065
-IONMODE=Negative
-RETENTIONTIME=484.01
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-240.0999 57718485.0 
-679.4209 6413969.0 
-1057.1551 3001955.0 
-1188.7713 3552262.0 
-1201.2745 3920305.0 
-END IONS
-
-BEGIN IONS
-NAME=C066
-IONMODE=Negative
-RETENTIONTIME=477.61
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-508.3589 85631225.0 
-509.3621 29637747.0 
-769.9668 2034350.0 
-1031.6491 17237588.0 
-1032.6524 9264007.0 
-END IONS
-
-BEGIN IONS
-NAME=C067
-IONMODE=Negative
-RETENTIONTIME=496.87
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-556.4425 28755077.0 
-557.445 8575104.0 
-600.4695 19352534.0 
-601.4722 6487708.0 
-644.4952 11254491.0 
-END IONS
-
-BEGIN IONS
-NAME=C068
-IONMODE=Negative
-RETENTIONTIME=446.34
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-312.1598 48528731.0 
-313.238 12723416.0 
-357.2789 114727535.0 
-358.2846 32919178.0 
-359.2915 4641654.0 
-END IONS
-
-BEGIN IONS
-NAME=C069
-IONMODE=Negative
-RETENTIONTIME=431.04
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-252.9981 5112473.0 
-327.0085 42852661.0 
-328.0117 4011270.0 
-329.0054 41634508.0 
-331.0028 13141699.0 
-END IONS
-
-BEGIN IONS
-NAME=C070
-IONMODE=Negative
-RETENTIONTIME=436.01
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-597.3036 6280556.0 
-603.2936 12822464.0 
-604.2967 4096514.0 
-621.3034 7105990.0 
-622.3061 2351379.0 
-END IONS
-
-BEGIN IONS
-NAME=C071
-IONMODE=Negative
-RETENTIONTIME=428.33
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-172.1645 1320296.0 
-205.1767 805534.0 
-301.2166 18169090.0 
-325.2163 7069382.0 
-343.2266 2908718.0 
-END IONS
-
-BEGIN IONS
-NAME=C072
-IONMODE=Negative
-RETENTIONTIME=404.46
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=5
-300.2174 12961057.0 
-318.0913 2035771.0 
-341.2118 3403529.0 
-352.2253 64611107.0 
-440.2781 3231404.0 
-END IONS
-
-BEGIN IONS
-NAME=C073
-IONMODE=Negative
-RETENTIONTIME=39.45
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-105.1079 25643451.0 
-106.0882 1008121.0 
-132.0911 149213134.0 
-133.093 9606398.0 
-END IONS
-
-BEGIN IONS
-NAME=C074
-IONMODE=Negative
-RETENTIONTIME=48.99
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-324.0009 6981928.0 
-367.9888 19794460.0 
-368.9907 10577331.0 
-383.9615 6271699.0 
-END IONS
-
-BEGIN IONS
-NAME=C075
-IONMODE=Negative
-RETENTIONTIME=38.61
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-107.0073 3031654.0 
-231.0565 7541254.0 
-377.132 4900119.0 
-395.1564 6383328.0 
-END IONS
-
-BEGIN IONS
-NAME=C076
-IONMODE=Negative
-RETENTIONTIME=55.64
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-92.9005 5352672.0 
-108.914 2618921.0 
-133.927 12290571.0 
-172.9567 33953504.0 
-END IONS
-
-BEGIN IONS
-NAME=C077
-IONMODE=Negative
-RETENTIONTIME=568.29
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-583.8869 36863018.0 
-584.891 12016606.0 
-749.0231 12396899.0 
-750.0278 7401510.0 
-END IONS
-
-BEGIN IONS
-NAME=C078
-IONMODE=Negative
-RETENTIONTIME=398.62
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-316.248 46844363.0 
-340.2484 7340552.0 
-360.2746 2404874.0 
-384.2747 2390732.0 
-END IONS
-
-BEGIN IONS
-NAME=C079
-IONMODE=Negative
-RETENTIONTIME=385.1
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-261.1103 8569525.0 
-314.2328 55972011.0 
-315.2342 9937448.0 
-338.2334 3234158.0 
-END IONS
-
-BEGIN IONS
-NAME=C080
-IONMODE=Negative
-RETENTIONTIME=410.4
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-225.1924 28100176.0 
-226.1948 3835768.0 
-647.2353 2107218.0 
-649.2515 1886834.0 
-END IONS
-
-BEGIN IONS
-NAME=C081
-IONMODE=Negative
-RETENTIONTIME=367.91
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-253.1952 3853260.0 
-271.2061 11931733.0 
-283.2425 2898656.0 
-505.1464 7616256.0 
-END IONS
-
-BEGIN IONS
-NAME=C082
-IONMODE=Negative
-RETENTIONTIME=379.79
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-412.2849 4835668.0 
-430.2953 5331329.0 
-466.3171 7929750.0 
-467.3198 2167391.0 
-END IONS
-
-BEGIN IONS
-NAME=C083
-IONMODE=Negative
-RETENTIONTIME=469.39
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-207.1969 3373287.0 
-535.3019 10075790.0 
-1015.672 36276276.0 
-1016.676 19226871.0 
-END IONS
-
-BEGIN IONS
-NAME=C084
-IONMODE=Negative
-RETENTIONTIME=502.62
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-458.3479 6136032.0 
-473.3452 10623724.0 
-517.3716 8926693.0 
-590.4116 3279579.0 
-END IONS
-
-BEGIN IONS
-NAME=C085
-IONMODE=Negative
-RETENTIONTIME=505.7
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-400.339 54213917.0 
-401.3452 13221351.0 
-426.3579 107580438.0 
-427.3613 29338788.0 
-END IONS
-
-BEGIN IONS
-NAME=C086
-IONMODE=Negative
-RETENTIONTIME=440.16
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-214.2533 1493815.0 
-230.2479 7797320.0 
-284.1286 13622785.0 
-417.3195 4847876.0 
-END IONS
-
-BEGIN IONS
-NAME=C087
-IONMODE=Negative
-RETENTIONTIME=437.62
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-394.2904 10535151.0 
-471.7966 5456746.0 
-476.2963 13371322.0 
-540.3676 4228098.0 
-END IONS
-
-BEGIN IONS
-NAME=C088
-IONMODE=Negative
-RETENTIONTIME=430.41
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-348.9906 5939980.0 
-350.9873 5719912.0 
-426.1135 590428.0 
-428.1109 573856.0 
-END IONS
-
-BEGIN IONS
-NAME=C089
-IONMODE=Negative
-RETENTIONTIME=407.21
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=4
-158.1543 12609020.0 
-159.1576 1084056.0 
-374.2762 3731741.0 
-391.209 1174675.0 
-END IONS
-
-BEGIN IONS
-NAME=C090
-IONMODE=Negative
-RETENTIONTIME=38.56
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-98.919 34309379.0 
-104.1071 417600412.0 
-137.0709 19389252.0 
-END IONS
-
-BEGIN IONS
-NAME=C091
-IONMODE=Negative
-RETENTIONTIME=41.11
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-94.0648 29912950.0 
-96.0453 2810684.0 
-110.0706 3533397.0 
-END IONS
-
-BEGIN IONS
-NAME=C092
-IONMODE=Negative
-RETENTIONTIME=47.76
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-181.0711 22419168.0 
-195.0878 229226763.0 
-196.0894 20952137.0 
-END IONS
-
-BEGIN IONS
-NAME=C093
-IONMODE=Negative
-RETENTIONTIME=43.24
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-153.0676 6096061.0 
-286.2015 11316338.0 
-304.2116 3065540.0 
-END IONS
-
-BEGIN IONS
-NAME=C094
-IONMODE=Negative
-RETENTIONTIME=59.41
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-302.02 42982160.0 
-344.0145 12088963.0 
-346.0096 208562691.0 
-END IONS
-
-BEGIN IONS
-NAME=C095
-IONMODE=Negative
-RETENTIONTIME=17.88
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-246.8615 7541207.0 
-287.8894 13522201.0 
-305.9005 3724287.0 
-END IONS
-
-BEGIN IONS
-NAME=C096
-IONMODE=Negative
-RETENTIONTIME=18.25
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-241.8884 9750879.0 
-259.8949 3972734.0 
-304.8923 2897534.0 
-END IONS
-
-BEGIN IONS
-NAME=C097
-IONMODE=Negative
-RETENTIONTIME=17.2
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-88.9319 1738316.0 
-111.9685 52093481.0 
-294.8639 3662077.0 
-END IONS
-
-BEGIN IONS
-NAME=C098
-IONMODE=Negative
-RETENTIONTIME=520.97
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-314.0269 3344905.0 
-320.168 7908369.0 
-321.1683 2715496.0 
-END IONS
-
-BEGIN IONS
-NAME=C099
-IONMODE=Negative
-RETENTIONTIME=513.8
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-220.1175 1361371.0 
-228.2326 6233400.0 
-268.2658 2396656.0 
-END IONS
-
-BEGIN IONS
-NAME=C100
-IONMODE=Negative
-RETENTIONTIME=589.95
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-732.5543 29332289.0 
-733.5576 12786143.0 
-810.6019 170332070.0 
-END IONS
-
-BEGIN IONS
-NAME=C101
-IONMODE=Negative
-RETENTIONTIME=596.5
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-325.2922 966346.0 
-378.2092 6124105.0 
-663.4541 1495638.0 
-END IONS
-
-BEGIN IONS
-NAME=C102
-IONMODE=Negative
-RETENTIONTIME=568.65
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-190.0013 1371611.0 
-235.1326 4646021.0 
-236.1305 1698666.0 
-END IONS
-
-BEGIN IONS
-NAME=C103
-IONMODE=Negative
-RETENTIONTIME=535.76
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-263.2373 9502360.0 
-614.4833 2200287.0 
-658.51 2078188.0 
-END IONS
-
-BEGIN IONS
-NAME=C104
-IONMODE=Negative
-RETENTIONTIME=531.01
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-237.22 1561112.0 
-466.33 13287998.0 
-467.3202 3787115.0 
-END IONS
-
-BEGIN IONS
-NAME=C105
-IONMODE=Negative
-RETENTIONTIME=351.57
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-361.2015 3929265.0 
-363.2171 20574377.0 
-364.2205 4609697.0 
-END IONS
-
-BEGIN IONS
-NAME=C106
-IONMODE=Negative
-RETENTIONTIME=358.55
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-288.2172 21440274.0 
-311.2052 7425805.0 
-332.2433 6088330.0 
-END IONS
-
-BEGIN IONS
-NAME=C107
-IONMODE=Negative
-RETENTIONTIME=402.91
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-583.2564 11666865.0 
-584.2607 4806507.0 
-633.2562 5502961.0 
-END IONS
-
-BEGIN IONS
-NAME=C108
-IONMODE=Negative
-RETENTIONTIME=388.14
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-274.2123 89701347.0 
-284.9615 3063470.0 
-416.3167 18882679.0 
-END IONS
-
-BEGIN IONS
-NAME=C109
-IONMODE=Negative
-RETENTIONTIME=449.77
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-266.6214 6852794.0 
-361.2739 5667417.0 
-489.1806 1695863.0 
-END IONS
-
-BEGIN IONS
-NAME=C110
-IONMODE=Negative
-RETENTIONTIME=469.09
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-436.2823 1402683.0 
-454.2933 89940088.0 
-455.2967 19108220.0 
-END IONS
-
-BEGIN IONS
-NAME=C111
-IONMODE=Negative
-RETENTIONTIME=475.44
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-515.3077 11336664.0 
-596.2657 6107659.0 
-599.4392 1882543.0 
-END IONS
-
-BEGIN IONS
-NAME=C112
-IONMODE=Negative
-RETENTIONTIME=480.9
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-424.3453 65681466.0 
-425.3459 16618174.0 
-448.3429 4650811.0 
-END IONS
-
-BEGIN IONS
-NAME=C113
-IONMODE=Negative
-RETENTIONTIME=507.69
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-261.2422 1470485.0 
-283.2017 5499746.0 
-369.1252 1397276.0 
-END IONS
-
-BEGIN IONS
-NAME=C114
-IONMODE=Negative
-RETENTIONTIME=500.04
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-109.5218 8470191.0 
-111.5221 8871153.0 
-469.3939 8286428.0 
-END IONS
-
-BEGIN IONS
-NAME=C115
-IONMODE=Negative
-RETENTIONTIME=498.95
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-239.1464 2483711.0 
-259.1161 653696.0 
-390.3208 1535784.0 
-END IONS
-
-BEGIN IONS
-NAME=C116
-IONMODE=Negative
-RETENTIONTIME=455.37
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-229.0895 4621754.0 
-257.2238 2133166.0 
-354.2842 3818861.0 
-END IONS
-
-BEGIN IONS
-NAME=C117
-IONMODE=Negative
-RETENTIONTIME=425.37
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-177.0628 3105367.0 
-245.0854 1520439.0 
-356.2801 11507639.0 
-END IONS
-
-BEGIN IONS
-NAME=C118
-IONMODE=Negative
-RETENTIONTIME=439.21
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=3
-264.2696 3219638.0 
-380.2567 13628316.0 
-382.2719 3659980.0 
-END IONS
-
-BEGIN IONS
-NAME=C119
-IONMODE=Negative
-RETENTIONTIME=75.44
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-244.0267 1028121.0 
-267.043 3378727.0 
-END IONS
-
-BEGIN IONS
-NAME=C120
-IONMODE=Negative
-RETENTIONTIME=38.24
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-130.0494 15956803.0 
-239.9654 1459631.0 
-END IONS
-
-BEGIN IONS
-NAME=C121
-IONMODE=Negative
-RETENTIONTIME=35.65
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-465.8067 2674183.0 
-468.745 4564703.0 
-END IONS
-
-BEGIN IONS
-NAME=C122
-IONMODE=Negative
-RETENTIONTIME=42.78
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-232.1548 11289500.0 
-246.1704 11953696.0 
-END IONS
-
-BEGIN IONS
-NAME=C123
-IONMODE=Negative
-RETENTIONTIME=40.19
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-102.0359 2328253.0 
-149.9462 11520115.0 
-END IONS
-
-BEGIN IONS
-NAME=C124
-IONMODE=Negative
-RETENTIONTIME=40.7
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-147.0736 18882528.0 
-229.1558 16017750.0 
-END IONS
-
-BEGIN IONS
-NAME=C125
-IONMODE=Negative
-RETENTIONTIME=35.04
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-271.9473 2149468.0 
-276.896 10711749.0 
-END IONS
-
-BEGIN IONS
-NAME=C126
-IONMODE=Negative
-RETENTIONTIME=36.81
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-140.0669 214841376.0 
-141.0353 15611039.0 
-END IONS
-
-BEGIN IONS
-NAME=C127
-IONMODE=Negative
-RETENTIONTIME=17.03
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-277.8643 3798476.0 
-295.8715 2325241.0 
-END IONS
-
-BEGIN IONS
-NAME=C128
-IONMODE=Negative
-RETENTIONTIME=317.37
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-286.2016 21614042.0 
-287.2049 3344526.0 
-END IONS
-
-BEGIN IONS
-NAME=C129
-IONMODE=Negative
-RETENTIONTIME=520.57
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-943.6165 3052234.0 
-1205.3044 6938899.0 
-END IONS
-
-BEGIN IONS
-NAME=C130
-IONMODE=Negative
-RETENTIONTIME=511.04
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-269.983 889010.0 
-341.2854 4773092.0 
-END IONS
-
-BEGIN IONS
-NAME=C131
-IONMODE=Negative
-RETENTIONTIME=584.44
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-111.0204 81745635.0 
-139.9881 60275297.0 
-END IONS
-
-BEGIN IONS
-NAME=C132
-IONMODE=Negative
-RETENTIONTIME=594.5
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-241.1402 2703532.0 
-253.2523 948549.0 
-END IONS
-
-BEGIN IONS
-NAME=C133
-IONMODE=Negative
-RETENTIONTIME=587.56
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-134.1177 233169113.0 
-135.1211 15007034.0 
-END IONS
-
-BEGIN IONS
-NAME=C134
-IONMODE=Negative
-RETENTIONTIME=586.91
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-100.1122 314050032.0 
-118.1228 927034767.0 
-END IONS
-
-BEGIN IONS
-NAME=C135
-IONMODE=Negative
-RETENTIONTIME=587
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-90.0915 18125403.0 
-101.1156 19921503.0 
-END IONS
-
-BEGIN IONS
-NAME=C136
-IONMODE=Negative
-RETENTIONTIME=586.09
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-125.0745 5222472.0 
-284.3251 3483102.0 
-END IONS
-
-BEGIN IONS
-NAME=C137
-IONMODE=Negative
-RETENTIONTIME=567.43
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-572.8946 4699172.0 
-573.9011 965749.0 
-END IONS
-
-BEGIN IONS
-NAME=C138
-IONMODE=Negative
-RETENTIONTIME=567.99
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-571.8874 9632225.0 
-737.0252 3438536.0 
-END IONS
-
-BEGIN IONS
-NAME=C139
-IONMODE=Negative
-RETENTIONTIME=569.1
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-354.2721 3585655.0 
-467.2343 5702586.0 
-END IONS
-
-BEGIN IONS
-NAME=C140
-IONMODE=Negative
-RETENTIONTIME=561.51
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-428.3739 27323731.0 
-454.3894 5088107.0 
-END IONS
-
-BEGIN IONS
-NAME=C141
-IONMODE=Negative
-RETENTIONTIME=536.31
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-333.1517 8840004.0 
-334.1551 1501440.0 
-END IONS
-
-BEGIN IONS
-NAME=C142
-IONMODE=Negative
-RETENTIONTIME=543.48
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-383.188 14719171.0 
-384.1866 3279849.0 
-END IONS
-
-BEGIN IONS
-NAME=C143
-IONMODE=Negative
-RETENTIONTIME=548.78
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-387.1432 12915848.0 
-407.6598 4564346.0 
-END IONS
-
-BEGIN IONS
-NAME=C144
-IONMODE=Negative
-RETENTIONTIME=553.62
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-359.1781 45383099.0 
-360.185 9704481.0 
-END IONS
-
-BEGIN IONS
-NAME=C145
-IONMODE=Negative
-RETENTIONTIME=545.31
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-394.3559 432819.0 
-443.3331 1151694.0 
-END IONS
-
-BEGIN IONS
-NAME=C146
-IONMODE=Negative
-RETENTIONTIME=551.39
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-350.1838 4199726.0 
-365.2288 1932289.0 
-END IONS
-
-BEGIN IONS
-NAME=C147
-IONMODE=Negative
-RETENTIONTIME=563.22
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-256.2615 19433189.0 
-282.2792 241362345.0 
-END IONS
-
-BEGIN IONS
-NAME=C148
-IONMODE=Negative
-RETENTIONTIME=548.47
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-305.2468 9633582.0 
-329.249 5814756.0 
-END IONS
-
-BEGIN IONS
-NAME=C149
-IONMODE=Negative
-RETENTIONTIME=350.93
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-130.0643 7419216.0 
-190.0865 4433780.0 
-END IONS
-
-BEGIN IONS
-NAME=C150
-IONMODE=Negative
-RETENTIONTIME=365.37
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-465.1226 1763287.0 
-490.2083 5275418.0 
-END IONS
-
-BEGIN IONS
-NAME=C151
-IONMODE=Negative
-RETENTIONTIME=394.87
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-328.2481 11119434.0 
-329.2519 2068394.0 
-END IONS
-
-BEGIN IONS
-NAME=C152
-IONMODE=Negative
-RETENTIONTIME=385.78
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-409.1497 1369551.0 
-427.1607 2275086.0 
-END IONS
-
-BEGIN IONS
-NAME=C153
-IONMODE=Negative
-RETENTIONTIME=401.39
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-107.0557 2271180.0 
-197.1612 1286942.0 
-END IONS
-
-BEGIN IONS
-NAME=C154
-IONMODE=Negative
-RETENTIONTIME=388.72
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-239.1276 1743749.0 
-286.9585 1645545.0 
-END IONS
-
-BEGIN IONS
-NAME=C155
-IONMODE=Negative
-RETENTIONTIME=373.67
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-507.1617 6285930.0 
-508.1657 1535734.0 
-END IONS
-
-BEGIN IONS
-NAME=C156
-IONMODE=Negative
-RETENTIONTIME=378.37
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-257.2254 3302868.0 
-777.6928 4522421.0 
-END IONS
-
-BEGIN IONS
-NAME=C157
-IONMODE=Negative
-RETENTIONTIME=473.08
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-267.6425 11780168.0 
-534.2949 13399261.0 
-END IONS
-
-BEGIN IONS
-NAME=C158
-IONMODE=Negative
-RETENTIONTIME=508.15
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-380.2992 5790633.0 
-423.2518 1386850.0 
-END IONS
-
-BEGIN IONS
-NAME=C159
-IONMODE=Negative
-RETENTIONTIME=471.89
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-304.2357 21716257.0 
-306.1523 8327492.0 
-END IONS
-
-BEGIN IONS
-NAME=C160
-IONMODE=Negative
-RETENTIONTIME=465.45
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-193.1239 1274413.0 
-295.1974 20379534.0 
-END IONS
-
-BEGIN IONS
-NAME=C161
-IONMODE=Negative
-RETENTIONTIME=488.7
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-667.4214 3075774.0 
-1189.7766 2040172.0 
-END IONS
-
-BEGIN IONS
-NAME=C162
-IONMODE=Negative
-RETENTIONTIME=471.97
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-316.6601 7221684.0 
-393.2201 8389493.0 
-END IONS
-
-BEGIN IONS
-NAME=C163
-IONMODE=Negative
-RETENTIONTIME=465.16
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-422.3267 4962906.0 
-431.3157 12163271.0 
-END IONS
-
-BEGIN IONS
-NAME=C164
-IONMODE=Negative
-RETENTIONTIME=474.29
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-239.1779 8236995.0 
-398.3268 11918127.0 
-END IONS
-
-BEGIN IONS
-NAME=C165
-IONMODE=Negative
-RETENTIONTIME=477.74
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-249.1858 1576729.0 
-307.15 1941191.0 
-END IONS
-
-BEGIN IONS
-NAME=C166
-IONMODE=Negative
-RETENTIONTIME=494.51
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-355.2846 54372680.0 
-373.2951 6108864.0 
-END IONS
-
-BEGIN IONS
-NAME=C167
-IONMODE=Negative
-RETENTIONTIME=497.67
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-474.3486 2732000.0 
-649.4483 2434649.0 
-END IONS
-
-BEGIN IONS
-NAME=C168
-IONMODE=Negative
-RETENTIONTIME=498.02
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-459.2569 3550909.0 
-539.4163 5285541.0 
-END IONS
-
-BEGIN IONS
-NAME=C169
-IONMODE=Negative
-RETENTIONTIME=492.45
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-732.5452 4526953.0 
-733.5465 1043642.0 
-END IONS
-
-BEGIN IONS
-NAME=C170
-IONMODE=Negative
-RETENTIONTIME=497.3
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-450.3586 4210116.0 
-451.3631 6446370.0 
-END IONS
-
-BEGIN IONS
-NAME=C171
-IONMODE=Negative
-RETENTIONTIME=467.81
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-185.0776 5067455.0 
-200.203 1398415.0 
-END IONS
-
-BEGIN IONS
-NAME=C172
-IONMODE=Negative
-RETENTIONTIME=457.02
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-263.2347 3933284.0 
-615.2633 1132491.0 
-END IONS
-
-BEGIN IONS
-NAME=C173
-IONMODE=Negative
-RETENTIONTIME=443.89
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-370.2956 41596161.0 
-371.304 9966707.0 
-END IONS
-
-BEGIN IONS
-NAME=C174
-IONMODE=Negative
-RETENTIONTIME=438.81
-RETENTIONINDEX=
-SPECTRUMTYPE=Centroid
-NUM PEAKS=2
-330.2563 5274387.0 
-579.2938 6044865.0 
-END IONS
-