Unknown D Spectra Values

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Background #1 Q1MS +ve Background #2 Q1MS +ve Background #3 Q1MS +ve

m/z Intensity Relative m/z Intensity Relative m/z Intensity

801.3 213333.8 2.73 801.29 216417.3 2.25 800.65 126761.8


802.63 69213.5 0.89 802.59 62454.3 0.65 801.63 244890.3
803.58 104240.8 1.34 803.59 92468.7 0.96 802.71 114976.2
804.62 48299 0.62 804.62 57905.9 0.6 803.62 143974.7
805.57 69542.6 0.89 805.64 67613.2 0.7 804.66 82329.6
806.54 38873.9 0.5 806.55 31874.1 0.33 805.64 90846.7
807.04 15318.9 0.2 807.61 38558.6 0.4 806.67 66931.6
807.73 57395.7 0.74 808.13 13555.3 0.14 807.61 71416.8
809.28 96361.5 1.23 809.27 103270.2 1.07 808.51 51726.7
811.29 142452.9 1.83 811.33 143764.4 1.49 809.53 111592.2
813.39 219547.8 2.81 813.4 234349.2 2.44 811.31 224225.9
814.59 78166.7 1 814.63 95557.7 0.99 813.38 379872.2
815.59 173448.1 2.22 815.59 167126.9 1.74 814.67 177017.8
816.7 68304.9 0.88 816.65 76314.7 0.79 815.66 244975.6
817.63 90430.2 1.16 817.63 88714.5 0.92 816.73 119924.5
818.58 42184.9 0.54 818.62 46938.5 0.49 817.67 109913.9
819.53 75640.3 0.97 819.61 71968.2 0.75 818.66 78254.3
820.58 47434 0.61 820.5 28130.4 0.29 819.65 95478.9
821.65 44066.3 0.56 821.7 32587.2 0.34 820.66 74249.5
823.5 82698.4 1.06 823.5 84790.5 0.88 821.65 83877
825.35 195761.6 2.51 825.4 210231 2.19 823.26 173916.9
827.36 287216 3.68 827.43 316029.2 3.29 825.39 326050.2
828.6 85389.3 1.09 828.67 91600.4 0.95 827.4 497850
829.67 169302.7 2.17 829.62 179490 1.87 828.72 169773.6
830.74 80077.4 1.03 830.78 85900.4 0.89 829.66 252547
831.71 98197.7 1.26 831.71 79480.8 0.83 830.74 131207.6
833.57 99821 1.28 832.59 44152.5 0.46 831.67 123998.8
834.66 52336.6 0.67 833.57 90501.9 0.94 832.64 77909.8
835.69 50849.2 0.65 834.66 48892.8 0.51 833.64 122866.9
837.24 115400.5 1.48 835.65 46619.4 0.48 834.75 76371.5
839.39 165584.4 2.12 837.46 86093.1 0.9 835.65 72695.4
841.41 223321.3 2.86 839.37 180938.2 1.88 837.22 176896.1
842.63 60253.3 0.77 841.38 223975.3 2.33 839.36 266662.8
843.55 137980.1 1.77 842.67 88187.4 0.92 841.38 363425.4
844.7 67518.9 0.87 843.67 122992.1 1.28 842.71 129485.3
845.69 74649.9 0.96 844.74 59884 0.62 843.66 179233.1
846.59 40334 0.52 845.76 79294.5 0.82 844.7 85192.1
847.52 77485.5 0.99 846.67 29181.9 0.3 845.67 108555.8
848.5 58540 0.75 847.63 70556.7 0.73 846.72 63224.2
849.61 77331.4 0.99 848.54 50548.6 0.53 847.66 97353
851.35 205437.3 2.63 849.54 88652 0.92 848.66 78823.9
853.49 418739.5 5.37 851.33 203652.5 2.12 849.66 102722.2
855.43 611034.7 7.83 853.48 475961.8 4.95 851.34 284615.5
856.79 206359.6 2.64 855.42 660778.8 6.87 853.45 695383.3
857.73 217035.8 2.78 856.78 206018.4 2.14 855.39 956507.4
859.38 302978.3 3.88 857.73 188107.2 1.96 856.74 304517.3
860.76 101359.9 1.3 858.59 59976.3 0.62 857.7 303845
861.71 143108.4 1.83 859.64 165183.1 1.72 858.72 140401.4
862.82 83047.7 1.06 860.68 65226.6 0.68 859.68 232193.2
863.8 65038.5 0.83 861.63 124044.2 1.29 860.75 125019.8
865.47 97489.5 1.25 862.82 69329.3 0.72 861.72 155112.1
867.31 181545.8 2.33 863.76 55088.5 0.57 862.78 101949.3
869.33 221819 2.84 865.31 122042.4 1.27 863.73 79487.7
871.61 160331.1 2.05 867.39 181971 1.89 865.26 182978.4
872.74 73092.1 0.94 869.38 203844.3 2.12 867.34 270253.8
873.69 85620 1.1 870.76 76944.7 0.8 869.34 310516.1
875.32 162931 2.09 871.72 115506.4 1.2 870.76 120854.6
877.44 342014.5 4.38 872.74 64818.4 0.67 871.72 161680
879.52 1011074 12.96 873.69 75467.7 0.78 872.73 100817.2
881.49 2132671 27.33 875.31 140288.5 1.46 873.68 99402.9
882.77 814228.1 10.43 877.46 339668.1 3.53 874.69 81537
883.69 1135774 14.55 879.54 1127089 11.72 875.66 121947.6
884.77 453366.6 5.81 881.49 2463710 25.61 877.42 478236.3
885.79 223196.5 2.86 882.8 1025615 10.66 879.5 1476057
886.85 92749.9 1.19 883.73 1180789 12.28 881.45 3079293
887.83 85200 1.09 884.76 481063.9 5 882.76 1246621
888.75 43768.8 0.56 885.78 208587.8 2.17 883.7 1519881
889.65 72283.5 0.93 886.85 83759.4 0.87 884.76 674004.4
890.59 38449.4 0.49 887.8 71750.8 0.75 885.79 284754.3
891.59 86160.3 1.1 888.71 44831.1 0.47 886.81 121474.5
893.34 171119.2 2.19 889.62 64955 0.68 887.76 105770.9
895.42 306812.9 3.93 891.51 81598.9 0.85 888.78 82253
897.43 454234.3 5.82 893.31 159301.1 1.66 889.74 73217.8
898.76 164470 2.11 895.41 258595 2.69 890.64 64297
899.7 234948.6 3.01 897.41 337828 3.51 891.62 107918.3
900.78 120857.2 1.55 898.76 125158.2 1.3 893.29 229467.3
901.75 124309.7 1.59 899.71 178750.1 1.86 895.37 374559.3
903.43 270385.8 3.46 900.75 91914.2 0.96 897.38 506229.7
905.46 452210.7 5.79 901.68 117722.2 1.22 898.76 183462.9
907.44 653699.6 8.38 903.43 285462.5 2.97 899.71 244654.7
908.79 244281.3 3.13 905.46 494014.1 5.14 900.74 139696.8
909.74 271309.3 3.48 907.45 724955.9 7.54 901.71 163911.6
910.79 136200.2 1.75 908.79 270803.3 2.82 903.42 398176.7
911.74 139679.7 1.79 909.74 294409.8 3.06 905.42 680269.4
912.79 78760.8 1.01 910.79 144930.3 1.51 907.42 1017415
913.76 84525.6 1.08 911.75 143939.5 1.5 908.75 357763.4
914.96 18027.9 0.23 912.78 79232.7 0.82 909.73 426231.2
915.66 70279.3 0.9 913.76 83765 0.87 910.78 186178.4
916.88 19055.4 0.24 914.67 42156.8 0.44 911.71 215009.8
917.59 79627.4 1.02 915.61 75493.3 0.78 912.79 124778.9
919.28 166380.3 2.13 917.58 71512 0.74 913.76 114673.9
921.31 221858.6 2.84 919.52 111930.5 1.16 914.75 77093.6
923.34 270283.8 3.46 921.35 196086 2.04 915.7 86924.3
924.75 88983.8 1.14 923.37 225257.3 2.34 916.72 80658.1
925.7 115509.7 1.48 924.75 81342.8 0.85 917.71 91834.2
926.8 67931.7 0.87 925.67 99566.9 1.04 918.64 81258.6
927.77 80631.3 1.03 926.63 51737.5 0.54 919.63 141819.2
928.71 48496.5 0.62 927.71 78020.7 0.81 920.73 132992.8
929.69 75604.9 0.97 928.66 54163 0.56 921.72 172395.2
930.59 30259.8 0.39 929.66 73226.4 0.76 922.73 118108.5
931.66 75889.9 0.97 930.87 18917.3 0.2 923.68 206464.9
933.29 131843 1.69 931.62 81866.2 0.85 924.75 115970.6
934.72 60953.5 0.78 932.72 58041.3 0.6 925.72 135157.4
935.71 77608.6 0.99 933.73 82676.6 0.86 926.75 84976.9
936.67 55378.8 0.71 934.71 51312.7 0.53 927.74 109312.2
937.65 75974.9 0.97 935.7 88239.1 0.92 928.71 75347.7
938.59 41330.6 0.53 936.63 39616.6 0.41 929.64 101339
939.58 88888.7 1.14 937.68 80703.7 0.84 930.68 72556.6
940.91 31317.8 0.4 939.65 91326 0.95 931.7 110139.6
941.7 66562.2 0.85 940.72 45589.7 0.47 932.71 74500.4
942.63 42108.4 0.54 941.69 76439.5 0.79 933.69 114327.8
943.62 68819.9 0.88 942.71 41100.6 0.43 934.71 76262.7
945.62 69186.9 0.89 943.66 61571.9 0.64 935.66 107973.6
947.25 159392.9 2.04 945.63 77815.3 0.81 936.71 88341
949.3 233620.8 2.99 947.33 153385.3 1.59 937.73 99204.2
950.64 90622 1.16 949.33 218390.5 2.27 938.73 69384.6
951.6 167303.7 2.14 950.64 86372.8 0.9 939.69 121053.7
952.7 88839.9 1.14 951.6 158726.1 1.65 940.76 78165.6
953.71 101418.6 1.3 952.66 78444.5 0.82 941.73 100132.4
954.74 55708.5 0.71 953.67 105146.2 1.09 942.75 71547
955.7 68477.7 0.88 954.78 59889.1 0.62 943.74 85274.6
956.75 58711.8 0.75 955.75 65687.8 0.68 944.76 72540.6
957.78 60472.2 0.77 956.7 56210.3 0.58 945.7 85637.1
959.59 74081.8 0.95 957.66 57984.5 0.6 946.69 80289.3
960.67 45525.8 0.58 958.55 41037.7 0.43 947.65 115140
961.66 65117.4 0.83 959.62 60563.2 0.63 948.65 84769.4
962.71 48018.2 0.62 960.75 29812.9 0.31 949.61 148518
963.7 57132 0.73 961.65 74326.7 0.77 950.64 94108.2
964.87 15621.5 0.2 962.75 44022.1 0.46 951.6 152935.3
965.65 67742.4 0.87 963.71 58173.5 0.6 952.67 94739.9
966.71 15226 0.2 964.63 39612.5 0.41 953.68 123777.9
967.71 71659.2 0.92 965.62 66163.6 0.69 954.71 72240
968.75 34129.9 0.44 966.72 45809.3 0.48 955.67 98385.9
969.74 50104.5 0.64 967.74 62727 0.65 956.7 83838.3
970.67 24348.9 0.31 968.63 29499.2 0.31 957.73 86003.7
971.99 28987.4 0.37 969.04 15099.4 0.16 958.67 53026.6
972.79 16035.1 0.21 969.73 57506.2 0.6 959.67 98441.9
973.59 79594.8 1.02 971.45 77468.5 0.81 960.71 59439.8
974.56 38884.9 0.5 973.63 64784.7 0.67 961.66 81568.4
975.71 82351.8 1.06 975.64 82092.9 0.85 962.67 65058.2
976.71 73701.2 0.94 976.67 77542.7 0.81 963.66 79947.2
977.66 79589 1.02 977.7 84201.6 0.88 964.67 64563.8
978.7 78327.3 1 978.74 74350.4 0.77 965.38 36707
979.7 62407.3 0.8 979.74 68167.7 0.71 965.94 47502.6
980.69 64146.1 0.82 980.73 61253.7 0.64 966.76 63213.8
981.98 39946.9 0.51 981.7 51294.7 0.53 967.78 86641.3
982.78 47167.9 0.6 982.66 51801 0.54 968.79 55572.8
983.92 20146.4 0.26 983.67 52006.2 0.54 969.78 80104.1
984.62 56997.2 0.73 984.66 53259.5 0.55 970.8 54491.5
985.71 55464.9 0.71 985.59 45165.7 0.47 971.71 69419.4
986.7 45912.6 0.59 986.12 16155 0.17 972.63 57362.9
987.67 48966 0.63 986.69 47996.9 0.5 973.66 91712.3
988.62 44474.6 0.57 987.91 26752.6 0.28 974.67 54139.5
989.64 51853.7 0.66 988.66 48446.9 0.5 975.63 97489.6
990.74 38875.4 0.5 989.71 50441.1 0.52 976.71 80804.4
991.71 48634.7 0.62 990.75 47778.5 0.5 977.7 89347.9
992.74 44120.3 0.57 991.74 47031.2 0.49 978.71 78601.2
993.5 23554.7 0.3 992.83 17571.2 0.18 979.74 88346
993.95 19594.9 0.25 993.78 40687.8 0.42 980.74 66860.9
994.33 15351.6 0.2 994.71 38502.6 0.4 981.74 79595.8
994.75 21644.9 0.28 995.87 25748.6 0.27 982.74 63600.6
995.71 43799.1 0.56 996.87 12913.3 0.13 983.67 65306.5
997.71 19830.6 0.25 997.91 16777.1 0.17 984.62 71917.4
998.04 12719.7 0.16 998.58 43551.6 0.45 985.66 77009.4
998.75 15771 0.2 999.63 49036.1 0.51 986.66 60875.1
999.99 23872.1 0.31 987.69 76064.4
988.71 52244.5
989.71 74702.2
990.83 67528.5
991.86 61682.4
992.83 55498.5
993.74 54569.2
994.67 51918
995.74 73721
996.75 42981.9
997.7 69748.9
998.71 48825.6
999.66 67070.4
nd #3 Q1MS +ve Background #1 Q1MS -ve Background #2 Q1MS -ve
Relative m/z Intensity Relative m/z Intensity Relative

1.02 201.01 7574 2.65 201.59 34595.1 13.19


1.97 201.86 5360.2 1.88 203.02 4195 1.6
0.92 202.76 1569.9 0.55 203.94 1074.2 0.41
1.16 203.18 1223.5 0.43 205.89 3273.9 1.25
0.66 203.98 451.4 0.16 207.06 2040.3 0.78
0.73 206.15 1553.1 0.54 208.92 3935.5 1.5
0.54 206.54 697.3 0.24 211.22 2039.8 0.78
0.57 206.87 972 0.34 212.99 8587.7 3.28
0.42 207.31 843.9 0.3 213.94 1311.1 0.5
0.9 207.95 536.1 0.19 214.94 8730.8 3.33
1.8 208.99 3398.3 1.19 215.92 1640.3 0.63
3.05 209.99 1220.4 0.43 216.87 5738.2 2.19
1.42 210.99 2663.5 0.93 218 430 0.16
1.97 213.01 8338.3 2.92 218.88 2127.8 0.81
0.96 213.99 1616.2 0.57 219.94 1639.2 0.63
0.88 215.07 7472.4 2.61 221.02 1898.6 0.72
0.63 216.14 2473 0.87 222.94 2732.3 1.04
0.77 217.04 3608.5 1.26 224.08 463.3 0.18
0.6 217.96 741.7 0.26 224.99 3129.5 1.19
0.67 218.37 250.4 0.09 227.01 6903.7 2.63
1.4 218.87 793.9 0.28 228.01 806.6 0.31
2.62 220.07 583.2 0.2 228.92 3537.2 1.35
4 220.94 1671.7 0.58 231.26 2141.8 0.82
1.36 221.93 465.9 0.16 231.95 643.8 0.25
2.03 222.62 1133.8 0.4 232.74 1848.2 0.7
1.05 223.25 1364.5 0.48 233.93 6406.1 2.44
1 223.97 783 0.27 234.98 4380.5 1.67
0.63 224.94 1003.7 0.35 236.69 4698.6 1.79
0.99 225.36 716.6 0.25 238.85 5777.3 2.2
0.61 227.07 5212.4 1.82 241.15 46590.2 17.77
0.58 228.08 558.6 0.2 243.07 2453.8 0.94
1.42 228.99 2288.7 0.8 244.99 11959 4.56
2.14 230.9 2464.3 0.86 248.12 262214.5 100
2.92 231.98 826.8 0.29 250.03 1874.9 0.72
1.04 232.72 999.3 0.35 250.89 5324.9 2.03
1.44 233.9 5201.8 1.82 253.02 6257.8 2.39
0.68 234.5 2434.7 0.85 255.12 63171.8 24.09
0.87 234.99 3683.1 1.29 256.28 6227.9 2.38
0.51 235.88 414.3 0.14 257.12 3540.4 1.35
0.78 236.87 3202.1 1.12 258.12 458.7 0.17
0.63 238.92 3602.8 1.26 258.98 3052.1 1.16
0.82 241.14 47224.4 16.52 260.86 7651.1 2.92
2.28 243.07 2811.2 0.98 262.03 4399.5 1.68
5.58 245.04 5702.9 2 263.05 3984.6 1.52
7.68 245.95 715.9 0.25 265.04 9743.7 3.72
2.44 248.14 285813.5 100 266.81 10758.1 4.1
2.44 250.85 3871.2 1.35 268.81 15044.6 5.74
1.13 253.31 2709.3 0.95 270.77 9353.7 3.57
1.86 255.09 40818.4 14.28 272.87 7930.9 3.02
1 256.28 4746.2 1.66 274.87 2495.2 0.95
1.24 257.18 2137.8 0.75 276.59 2918.4 1.11
0.82 258.01 673.3 0.24 277.23 2667.1 1.02
0.64 259.26 1081 0.38 279.02 6128.9 2.34
1.47 260.9 4894.6 1.71 281.15 17845.1 6.81
2.17 262.11 5984.3 2.09 283.12 35679.8 13.61
2.49 263.16 2066.8 0.72 284.37 5082.4 1.94
0.97 264.99 10049.2 3.52 285.28 3391.5 1.29
1.3 266.82 8972.3 3.14 286.93 3729.5 1.42
0.81 268.81 10449.6 3.66 288.8 4477.1 1.71
0.8 271.02 3117.9 1.09 290.24 799.9 0.31
0.65 271.66 502.1 0.18 291.09 2384.3 0.91
0.98 272.98 5548.1 1.94 292.93 8468.5 3.23
3.84 274.2 592.3 0.21 295.01 6801.5 2.59
11.84 274.99 1751.8 0.61 297.06 8408.6 3.21
24.71 276.98 4185.3 1.46 298.86 8055.3 3.07
10 278.21 534.6 0.19 300.05 872.5 0.33
12.2 279.03 4293.5 1.5 301.05 4808.9 1.83
5.41 280.21 461 0.16 302.9 3918.4 1.49
2.29 281.17 10234.5 3.58 303.83 606.3 0.23
0.97 283.12 19171.3 6.71 305.31 1801.7 0.69
0.85 284.27 2459.4 0.86 305.97 747.7 0.29
0.66 285.16 2729.9 0.96 307.29 2484.6 0.95
0.59 286.96 2939.5 1.03 308.05 1086.5 0.41
0.52 288.99 3550.9 1.24 309.07 6627.7 2.53
0.87 291.05 2102 0.74 311.07 18235.5 6.95
1.84 293 7280.4 2.55 312.23 4349.6 1.66
3.01 294.89 5210.2 1.82 313.18 8693.2 3.32
4.06 297.05 7823.2 2.74 314.23 3867.7 1.48
1.47 299.01 5511.9 1.93 315.1 3623.3 1.38
1.96 300.94 3016.3 1.06 316.01 927.7 0.35
1.12 302.01 1010.8 0.35 317.32 2021.8 0.77
1.32 303.06 2092.1 0.73 317.92 748.6 0.29
3.2 303.94 690 0.24 318.86 6021.2 2.3
5.46 304.95 3305.5 1.16 319.79 641.8 0.24
8.16 305.94 502 0.18 320.91 4180.5 1.59
2.87 306.99 3891.3 1.36 322.78 4597.3 1.75
3.42 309.04 6855.1 2.4 323.7 593.5 0.23
1.49 311.09 16681.5 5.84 325.03 21087.7 8.04
1.73 312.17 2985.8 1.04 327.06 5081.8 1.94
1 313.11 6496.3 2.27 328.75 7578.2 2.89
0.92 314.26 2919.3 1.02 330.91 7657.1 2.92
0.62 315.01 3492.4 1.22 332.71 3407.8 1.3
0.7 315.8 762.9 0.27 333.26 4880.5 1.86
0.65 316.29 568.4 0.2 334.84 1404.9 0.54
0.74 317.46 1139.5 0.4 335.26 1663.4 0.63
0.65 318.88 4712.2 1.65 337.34 1989.1 0.76
1.14 321.04 3051.3 1.07 339.05 14140.5 5.39
1.07 322.89 5022.3 1.76 340.25 1119.8 0.43
1.38 325.04 21404 7.49 341.06 5204.8 1.98
0.95 327.02 5650.5 1.98 342.11 1514.1 0.58
1.66 328.65 5143.3 1.8 343.05 3616.5 1.38
0.93 329.52 914.8 0.32 345.06 4191.8 1.6
1.08 329.92 603 0.21 346.73 5288.2 2.02
0.68 330.84 5202.1 1.82 347.62 541.7 0.21
0.88 332.03 5974.9 2.09 347.97 852.3 0.33
0.6 332.66 2380.5 0.83 349.33 2444.3 0.93
0.81 333.26 4287.8 1.5 351.08 3753 1.43
0.58 335.17 2083.5 0.73 352.83 6974 2.66
0.88 335.97 549.9 0.19 355.24 2471.7 0.94
0.6 337.09 3657.2 1.28 356.95 4513 1.72
0.92 339.04 13578.8 4.75 357.92 701.9 0.27
0.61 340.18 2746.5 0.96 359.27 1844.6 0.7
0.87 340.67 1488.8 0.52 360.02 1381.9 0.53
0.71 341.36 2651.7 0.93 361.02 4254.1 1.62
0.8 343.12 2338.4 0.82 362.49 2947.5 1.12
0.56 345.28 1891.3 0.66 363.3 1587.9 0.61
0.97 345.88 860.3 0.3 365.02 4288.5 1.64
0.63 346.85 4063.1 1.42 367.02 5384.1 2.05
0.8 349.36 1370 0.48 368.85 5277.3 2.01
0.57 350.81 5184.4 1.81 370.99 5270.4 2.01
0.68 352.88 5610.3 1.96 372.87 4636.5 1.77
0.58 354.84 4220.8 1.48 374.89 5141.3 1.96
0.69 356.97 3934.4 1.38 377.15 2897.9 1.11
0.64 358.12 417.3 0.15 378.67 5234.7 2
0.92 359.37 1100.9 0.39 379.62 531.5 0.2
0.68 360.94 2786.3 0.97 381.25 3034.3 1.16
1.19 363.11 1974.6 0.69 382.83 6111.8 2.33
0.76 365.04 3422.3 1.2 385.08 3449.9 1.32
1.23 366.94 4231.1 1.48 386.7 6379.1 2.43
0.76 369 4032.6 1.41 388.69 6758.5 2.58
0.99 370.99 4172.1 1.46 390.92 5772.2 2.2
0.58 373.29 1552.2 0.54 393.07 7061.9 2.69
0.79 374.29 887.5 0.31 395.01 6457 2.46
0.67 375.19 1679.2 0.59 396.9 5678.2 2.17
0.69 377.19 3110.6 1.09 399.05 3420.6 1.3
0.43 379.16 2472.6 0.87
0.79 380.87 4265.3 1.49
0.48 383.12 2754.5 0.96
0.65 384.54 1753.5 0.61
0.52 385.14 2654.5 0.93
0.64 387.21 2948.9 1.03
0.52 389 3240.6 1.13
0.29 391.03 4709.7 1.65
0.38 392.21 737 0.26
0.51 393.09 4857.1 1.7
0.7 395.22 1756.3 0.61
0.45 395.66 788.9 0.28
0.64 396.76 1755.6 0.61
0.44 397.34 2042.1 0.71
0.56 398.83 1210.6 0.42
0.46 399.22 1241.4 0.43
0.74
0.43
0.78
0.65
0.72
0.63
0.71
0.54
0.64
0.51
0.52
0.58
0.62
0.49
0.61
0.42
0.6
0.54
0.49
0.45
0.44
0.42
0.59
0.34
0.56
0.39
0.54
Background #3 Q1MS -ve Background #1 NL 59.1 +ve Background #2 NL 59.1 +ve
m/z Intensity Relative m/z Intensity Relative m/z Intensity

201.44 17338.6 7.73 700.11 9.8 5.2 700.62 3.8


203.02 3952.1 1.76 700.38 8.7 4.64 700.94 4.1
203.99 676.8 0.3 700.86 2.5 1.35 701.92 5.4
206.13 1525.5 0.68 702.11 11.6 6.19 702.55 10.8
207.05 2380.3 1.06 702.86 12.7 6.73 702.99 3.7
207.93 1101.6 0.49 704.58 13.8 7.35 703.65 2.2
208.93 4097 1.83 704.87 7.6 4.02 704.56 13.3
210 1776 0.79 706.03 4.4 2.35 705.76 6
210.99 3534.1 1.58 707.09 12.1 6.45 707.43 21.7
213.07 9822.6 4.38 707.42 14.4 7.67 708.51 34.4
214.96 8989.2 4.01 707.82 18 9.59 710.42 28.5
215.99 2434.5 1.09 708.64 6.1 3.26 711.59 8.2
216.93 5221.9 2.33 710.04 10.9 5.78 712.52 10.4
217.88 764.1 0.34 710.5 0.5 0.26 712.88 7.7
218.21 499.7 0.22 711.53 6.1 3.23 713.38 2.4
218.88 2494.9 1.11 711.95 12.6 6.72 714.13 0.4
219.86 1718.3 0.77 712.28 7.1 3.76 714.9 9
221.19 1340.4 0.6 712.51 4 2.11 715.39 15.1
222.96 2641.5 1.18 713.03 3.8 2.03 716.07 5.4
223.92 378.1 0.17 714.1 15.3 8.14 716.67 9.2
225 3203.6 1.43 714.56 8.3 4.41 717.32 3
227.32 4162.5 1.86 717.4 34.9 18.55 717.7 9.6
228.88 4113.1 1.83 718.48 7.9 4.2 719.58 15.9
230.93 3801.5 1.69 718.88 2.2 1.19 719.97 6.2
231.95 687.2 0.31 719.12 2.8 1.48 720.31 7
232.87 1486 0.66 720.12 34.9 18.53 721.47 35.1
234.5 2315 1.03 721.67 6.2 3.3 722.02 16.4
235 4206.9 1.88 722.5 15.6 8.3 722.57 52.7
236.81 4714.1 2.1 723.57 38.9 20.67 724.01 17.2
238.9 5983 2.67 724.43 10.8 5.76 725.39 21.4
241.18 44512.6 19.84 724.86 13.9 7.39 727.4 23.5
243.08 3480.6 1.55 725.57 22.2 11.79 727.85 21.6
245.02 15128 6.74 726.67 36.2 19.24 728.46 5.1
248.13 224311 100 727.11 10.5 5.58 729.64 17.3
250.85 4650.2 2.07 727.82 11.9 6.31 730.62 18.9
252.91 8065.3 3.6 728.92 38.2 20.33 730.99 2.1
255.13 83850.1 37.38 729.46 10.7 5.69 731.94 14.1
256.58 12050.7 5.37 729.87 8.6 4.58 732.44 7
258.85 3558.6 1.59 730.52 1.2 0.65 733.06 12.9
260.81 7593.6 3.39 731.69 8.5 4.51 733.59 11.1
261.99 4077.5 1.82 731.94 6.2 3.3 734.29 23.3
263.04 3687.9 1.64 732.65 18.8 9.98 734.71 11.1
265.01 9941.7 4.43 733.78 15.3 8.13 735.09 24.7
266.85 11177.3 4.98 734.29 1.4 0.74 735.62 26
268.86 15547.2 6.93 735 14.6 7.77 736.8 17.1
270.78 8953.9 3.99 736.27 13.1 6.95 737.87 24.8
272.94 8276.5 3.69 736.84 21.9 11.64 739.18 7.3
274.94 2668.8 1.19 737.57 23.3 12.37 739.73 1.7
276.99 5606 2.5 737.91 14.2 7.54 740.29 22.9
278.04 768.9 0.34 738.65 11.4 6.05 740.81 9.1
279.11 6881 3.07 740.64 11.8 6.28 741.28 6.9
281.12 24484 10.92 740.91 14.1 7.47 742.35 4.2
283.18 51020.3 22.75 742.62 20.2 10.72 743.18 15.5
284.38 6716.5 2.99 743.22 5.5 2.9 743.67 9.8
285.24 2959.2 1.32 743.45 5.2 2.79 744.83 29.8
287.29 2142.7 0.96 743.73 12.6 6.68 745.8 8.9
288.82 4619.8 2.06 744.84 22.6 12.04 746.56 9.8
290.08 1245.1 0.56 746.46 15.4 8.16 747.42 20
291.05 2681.4 1.2 746.87 11.3 6.01 749.26 12.3
293.33 3619.8 1.61 747.77 12.6 6.68 750.01 19.6
295.03 7551.1 3.37 748.88 15.3 8.15 750.36 9.3
297.08 10358.4 4.62 749.89 11.8 6.27 751.1 18.4
298.13 1633 0.73 750.3 5.9 3.12 751.54 0.4
298.98 6701.9 2.99 752.88 33.2 17.65 752.87 4.7
300.99 4371 1.95 754.24 28.8 15.32 753.13 4.3
302.81 4584.2 2.04 754.69 12.5 6.64 753.72 26.4
304.21 587.9 0.26 755.19 2.6 1.41 754.49 2
305 3653.6 1.63 755.8 31.5 16.76 755.5 2.2
306.76 2897.8 1.29 756.5 1.5 0.82 756.95 19.9
307.37 2210.6 0.99 756.75 2.5 1.35 757.46 8.3
309 8569.3 3.82 757.77 11.6 6.15 758.8 20.5
311.08 18360.8 8.19 759.38 24 12.76 759.75 22.1
313.07 10805.8 4.82 761.44 22.8 12.11 760.96 17.8
314.13 3070.1 1.37 762.53 20.8 11.06 761.48 16.5
315.21 2857.4 1.27 763.17 15.8 8.39 761.83 13.1
315.89 942.3 0.42 763.52 13.9 7.38 762.61 30.1
316.29 1091.6 0.49 764.3 10 5.32 763.03 27.8
317.29 2180.4 0.97 764.98 3.9 2.09 763.74 20
317.88 1040.2 0.46 765.36 11.5 6.11 764.2 11.1
319.24 3097.9 1.38 765.9 2.5 1.35 764.55 16.4
320.63 2636.4 1.18 766.63 23.5 12.47 765.61 18.4
321.28 1788.7 0.8 767.16 6.9 3.68 766.35 9.3
322.97 4141.4 1.85 767.49 5.7 3.01 766.63 9.7
324.98 21584.5 9.62 768.46 12.8 6.8 766.88 12
326.72 10569 4.71 769.36 14.3 7.61 767.1 9.7
328.73 7564.6 3.37 770.15 2 1.08 768.42 4.8
330.8 7292.5 3.25 771.67 16.3 8.67 770.27 10.7
331.96 4506 2.01 772.33 1.4 0.73 770.73 5.5
333.11 7470.5 3.33 773.35 10.9 5.8 771.04 11.7
334.98 3197.1 1.43 775.8 14.1 7.5 771.43 7.9
337.01 4849 2.16 776.25 8 4.25 771.84 6.3
339.08 14539 6.48 776.6 7.5 3.98 772.21 10.8
340.91 6689.9 2.98 776.91 7.8 4.16 772.53 4.9
343.17 2905.9 1.3 777.73 14 7.43 773.94 13.4
344.81 5948.9 2.65 778.12 8.3 4.41 774.25 11.3
346.96 4675 2.08 778.85 42.9 22.81 775.65 11.8
348.06 1067.8 0.48 779.9 6.9 3.64 776.57 42.2
349.02 3621.3 1.61 780.23 16.2 8.63 776.91 41.8
350.88 5904 2.63 780.92 3.1 1.64 777.31 7.4
352.87 8162.4 3.64 782.62 17.7 9.42 777.63 15
354.79 5569.8 2.48 783.77 19 10.11 778.03 12.3
356.73 5783 2.58 784.57 5 2.64 778.48 8.5
359.06 2562 1.14 785.66 35.6 18.94 779.44 39.6
360.79 5261.3 2.35 786.21 4.7 2.48 780.53 7.8
361.7 555.5 0.25 786.69 6.6 3.52 780.91 2.7
363.21 1720.1 0.77 786.92 3.5 1.84 782.1 16.6
363.61 496 0.22 788.14 7.5 4 782.51 7.4
365.01 5498.8 2.45 788.52 6.2 3.31 783.95 13.2
366.96 5814.8 2.59 788.81 5.5 2.92 784.71 15
368.91 4930.7 2.2 789.93 8.2 4.36 786.02 10.1
369.71 671.3 0.3 790.89 14.8 7.87 786.35 7.8
370.81 6945 3.1 791.3 8.6 4.56 787.72 22.4
372.85 6217 2.77 791.99 8.6 4.56 788.86 12.8
375 5024 2.24 792.44 3.3 1.73 789.11 11
376.83 7359.9 3.28 792.72 2.5 1.31 789.63 65.1
378.17 925 0.41 794.74 2.8 1.51 790.53 19.8
379 4849.1 2.16 795.64 26.8 14.25 790.91 11.7
381.02 6532.4 2.91 797.06 15.6 8.28 791.62 32.2
383.31 3084.6 1.38 798.14 12.2 6.5 792.42 9.1
384.75 6519 2.91 798.51 8.2 4.36 793.51 5.1
386.63 7298 3.25 798.92 2.6 1.39 794.81 8.4
388.53 4148.5 1.85 799.21 1.1 0.61 795.11 11.9
389.22 3069.6 1.37 800.08 8.4 4.49 795.67 15
390.92 5873.1 2.62 800.73 9.9 5.26 796.51 56.2
392.91 9390 4.19 801.04 17.5 9.31 797.05 34
395.31 3546.4 1.58 801.73 7.4 3.92 797.49 19
396.69 4337.7 1.93 802.79 11.7 6.22 797.95 12.4
397.39 3083.7 1.37 803.77 33.1 17.59 798.21 9.3
398 984.9 0.44 804.74 14.5 7.68 798.43 6.9
398.96 5759.2 2.57 805.15 7.4 3.95 798.7 2.8
805.55 10 5.33 798.95 2.1
806.14 14.3 7.62 800.61 14.5
806.36 13.5 7.19 800.83 8.2
807.44 28.1 14.94 801.48 5.6
809.63 3.6 1.89 802.07 3.2
810.09 8 4.26 802.87 18.2
810.6 18.6 9.89 804.05 21.1
811.57 29.5 15.71 804.45 3.1
812.42 15.5 8.26 804.93 3.9
813.28 5.8 3.07 805.21 4.7
814.1 4.6 2.45 805.46 4.2
814.88 25.5 13.57 806.14 5.5
815.63 3.5 1.86 807.06 11.9
815.97 6.6 3.49 807.46 5.4
816.29 3.3 1.75 807.91 17
817.58 34.5 18.32 808.5 0.9
818.07 28.5 15.14 809.22 18.7
819.28 23.1 12.25 809.74 2.4
820.2 9.4 5 810.14 9.3
820.46 8.8 4.7 810.41 13
820.72 7.4 3.93 811.43 20.1
822.53 20.6 10.93 812.34 21.7
823.39 18.3 9.75 813.09 26.5
823.87 2.9 1.54 813.53 8.1
825.41 14.9 7.93 814 24.4
826.37 14.2 7.53 816.53 21.6
827.01 34.5 18.35 816.82 21.9
828.48 9.8 5.2 817.75 47.2
829.83 33.9 18.02 818.72 32.7
830.72 9.2 4.89 819.66 22.6
831.67 25.4 13.5 820.04 12.5
832.12 15.9 8.45 820.96 26.4
833.16 24.1 12.79 821.91 2.9
833.82 1.8 0.98 823.62 28.1
834.56 38.5 20.45 825.18 17.8
835.11 8 4.26 825.68 22
836.07 7 3.7 826.01 10.3
836.73 12.5 6.62 827 8.8
837.79 21.4 11.37 827.71 24.6
838.33 3.5 1.85 828.1 5.7
838.78 5.7 3.04 828.42 8.5
839.93 3.7 1.97 828.77 9.3
840.62 8.6 4.58 829.13 6.1
841.76 8.7 4.61 829.88 39.7
842.58 25.5 13.55 830.68 71.8
843.1 11.3 5.99 831.75 43.6
844.82 25.6 13.59 832.71 16.6
845.87 66.5 35.36 833.6 41.5
846.72 41.9 22.27 834.95 32.8
847.94 22.5 11.95 835.94 20.5
848.22 14.1 7.5 836.41 11.1
848.95 23.7 12.61 837.02 12.9
849.64 6.9 3.69 837.48 9
850.47 20.1 10.69 837.9 7.4
851.85 4.2 2.25 839.4 9.3
852.4 16.6 8.83 839.68 5.3
852.84 3.4 1.79 840.44 29.3
853.84 14 7.46 841.75 17.1
854.28 2 1.04 842.1 3.7
855.68 18.8 9.97 842.92 36.8
856.09 10.3 5.48 843.71 39.6
856.62 44.5 23.66 844.58 22.3
857.01 30.8 16.39 845.53 51.4
857.82 38.8 20.63 846.06 17.2
858.66 34.2 18.16 846.46 17.8
859.89 34 18.09 846.88 14.5
860.81 57.5 30.54 847.7 37
861.69 36.1 19.19 848.29 16.3
862.08 19.2 10.2 848.79 11.4
862.74 26.4 14.01 849.67 25.9
863.52 13.5 7.17 851.74 33.5
865.63 24.8 13.17 852.88 11.2
866.97 27.8 14.8 854.79 8.1
867.75 15.8 8.4 855.04 8.7
868.14 10.2 5.41 856.35 35.6
868.49 8.8 4.66 857.68 50.7
869.21 3.9 2.09 858.75 78.2
869.97 18.3 9.71 859.18 17.4
870.77 10.3 5.49 859.89 90.8
871.93 29.7 15.76 860.73 36.6
872.87 47.9 25.48 861.05 22.8
873.99 46.9 24.92 862.02 12.9
874.44 10 5.32 862.3 8.7
874.93 8.7 4.63 863.2 26.1
875.91 48.1 25.59 864.46 14.3
877.03 11 5.85 864.69 13.8
877.9 6.2 3.31 864.95 8
878.59 34.2 18.18 865.97 1.4
879.77 4.6 2.47 867.11 12.6
880.6 5.6 2.95 867.6 3
881.82 7.6 4.05 868.95 17.4
882.72 9.7 5.18 869.81 34.1
883.05 7 3.73 870.76 60.8
884.09 27.2 14.46 871.74 71.3
884.8 53.9 28.67 872.7 77
885.64 54 28.69 873.84 50.6
886.04 50.6 26.9 875.01 63.2
886.85 55.8 29.65 875.84 12.6
887.88 61.4 32.63 876.29 19.6
889.03 19.3 10.26 877.6 31.5
889.28 15 7.95 879.38 8.8
889.69 28.5 15.16 879.86 8.5
890.06 15.9 8.47 880.54 15.2
890.45 11.5 6.09 881.52 33.3
890.8 5.3 2.82 881.96 11.7
892.21 5.3 2.79 882.71 27.6
892.61 1.4 0.76 883.11 6.3
893.77 15.9 8.44 883.93 44.3
895.32 9.9 5.24 885.14 27.4
896.08 14.5 7.73 885.81 84.5
897.09 3.9 2.06 886.76 73.7
897.86 29.9 15.9 887.3 19.8
898.93 19.9 10.56 887.79 82
899.66 29.7 15.81 888.96 77.9
889.89 18.4
890.39 11.8
890.74 7.3
891.76 4.2
892.86 25.1
893.87 13
894.3 15.9
894.62 10.3
895.09 9.6
895.65 20.9
896.03 21.3
896.82 10.2
897.93 21.1
898.83 13.3
nd #2 NL 59.1 +ve Background #3 NL 59.1 +ve Background #1 NL 368.5 +ve
Relative m/z Intensity Relative m/z Intensity Relative

1.66 700.9 16.3 8.79 600.45 9.1 4.6


1.79 701.29 7.9 4.26 601.38 20.5 10.42
2.38 701.66 17.1 9.25 603.06 26.5 13.46
4.75 702.3 8.7 4.68 603.49 14.9 7.55
1.63 702.67 2.5 1.33 604.15 7.7 3.91
0.95 703.01 1.5 0.84 605.58 25.3 12.83
5.85 704.21 23.5 12.68 606.2 9.7 4.93
2.62 704.81 6.9 3.72 606.48 11.6 5.87
9.53 705.66 9 4.87 607.2 23.2 11.76
15.08 706.4 4.3 2.32 607.94 22.1 11.2
12.52 707.38 21.7 11.71 609.64 9.7 4.91
3.59 709.01 30.6 16.53 610.61 9.4 4.79
4.56 709.86 6.7 3.63 611.11 3.6 1.85
3.4 710.8 13.3 7.21 611.34 1.9 0.95
1.03 711.29 12.1 6.56 612.15 8.3 4.23
0.19 711.62 16.2 8.77 613.12 29.8 15.15
3.95 712.58 6.4 3.49 614.92 1.3 0.67
6.64 713.21 1.5 0.81 616.04 7.1 3.58
2.38 713.46 2.5 1.35 617.3 100.9 51.23
4.05 714.5 44.4 23.97 618.49 13.4 6.82
1.32 716.11 11.8 6.39 619.42 41.8 21.22
4.22 717.15 7 3.76 619.94 22.5 11.42
6.97 717.8 19.9 10.75 620.46 22.6 11.49
2.73 718.37 17.9 9.65 622.77 20.3 10.31
3.06 718.99 11 5.96 623.55 4.3 2.19
15.4 719.32 11.8 6.37 623.79 4 2.05
7.21 719.78 6.4 3.48 624.87 15.2 7.72
23.14 720.27 5.8 3.13 625.2 10.1 5.1
7.55 721.86 7.5 4.07 625.5 6.9 3.52
9.38 722.72 35 18.9 626.26 8.4 4.24
10.3 723.43 21 11.33 626.77 5.2 2.66
9.5 723.74 20.1 10.88 627.02 3.3 1.65
2.25 724.75 30.3 16.39 627.25 1 0.53
7.59 726.32 23.7 12.79 628.23 1.9 0.95
8.31 726.73 10 5.39 628.61 2 1.01
0.94 727.43 9.2 4.99 631.23 57.1 28.96
6.18 728.25 34.4 18.62 631.77 51.8 26.28
3.09 728.59 12.8 6.9 632.26 7 3.56
5.66 729.22 13.9 7.51 632.54 4.9 2.5
4.87 731.07 8.5 4.59 633.21 19.3 9.77
10.21 731.43 5.6 3.04 633.54 28.6 14.54
4.87 732.25 11.2 6.04 633.9 5.7 2.87
10.83 732.54 7 3.79 635.28 37.7 19.15
11.43 732.81 10.9 5.87 635.78 8.1 4.12
7.52 733.65 36.9 19.96 636.54 2.8 1.42
10.89 734.47 28.5 15.42 637.66 4.5 2.31
3.22 734.85 22.6 12.24 639.03 20.6 10.48
0.75 735.92 16.8 9.1 639.86 2.7 1.37
10.07 736.9 26.5 14.31 640.74 7.2 3.67
4.02 738.04 10.2 5.51 641.24 10.2 5.16
3.05 739.56 8.7 4.69 641.71 11.5 5.85
1.84 740.19 21.3 11.53 641.94 9.1 4.63
6.79 740.59 16.9 9.12 643.09 22.3 11.3
4.32 740.95 21 11.34 645.69 99.1 50.31
13.1 741.29 10.6 5.72 646.66 30.2 15.35
3.89 741.65 14.2 7.68 647.1 17.9 9.09
4.31 742.67 20.4 11.01 647.62 21.4 10.85
8.77 744.37 24.8 13.4 647.91 20.7 10.5
5.39 744.9 31.2 16.88 648.35 7.1 3.61
8.59 745.61 7.9 4.26 649.42 18.1 9.17
4.09 746.34 26.5 14.33 650.24 17.9 9.1
8.07 746.74 15.1 8.15 651.13 0.8 0.4
0.18 747.94 18.9 10.23 652.33 5.1 2.57
2.07 748.55 5.3 2.85 653.84 2 1.02
1.89 749.32 35.4 19.14 654.34 1.4 0.73
11.59 750.37 17.4 9.41 655.75 2.2 1.11
0.89 750.7 8.3 4.5 657.46 51.1 25.92
0.94 751.48 26.4 14.28 658.09 6.1 3.09
8.72 752.61 24.4 13.19 659.39 28.6 14.52
3.64 753.2 2.9 1.58 659.78 28 14.22
9.02 753.6 7.5 4.04 660.13 13.5 6.86
9.7 754.08 2.7 1.45 660.49 7.9 4.02
7.83 754.99 10.5 5.66 661.33 36.5 18.5
7.25 756 6.1 3.29 661.73 51.1 25.96
5.74 756.44 9.8 5.27 662.54 21.5 10.93
13.19 757.64 17.7 9.55 663.27 37.2 18.89
12.18 758.49 22 11.87 663.72 28.1 14.29
8.77 758.99 11.8 6.36 664.23 6.4 3.27
4.87 759.45 24.2 13.07 664.56 4.8 2.42
7.19 760.01 3.4 1.85 665.29 44.5 22.61
8.08 761.17 11.7 6.34 666.82 11.5 5.85
4.07 761.86 21.3 11.52 667.57 8.2 4.18
4.24 763.01 9.1 4.92 667.93 4.3 2.19
5.28 764.02 8.1 4.4 668.32 4.8 2.43
4.24 764.61 7.5 4.07 669.72 19.7 10
2.12 765.62 25.2 13.63 670.08 5 2.55
4.71 766.92 14.7 7.94 670.49 3.8 1.95
2.42 767.76 7 3.77 671.69 39.8 20.2
5.14 769.31 15.6 8.41 673.43 197 100
3.46 770.47 12.3 6.65 674.7 20.8 10.54
2.77 771.21 4.6 2.48 675.2 21.6 10.95
4.76 772.54 12.2 6.58 675.59 31 15.76
2.13 773.48 2.1 1.13 677.26 127 64.45
5.87 774.31 2.7 1.45 679.5 49.2 25
4.96 775.37 8.2 4.43 680.6 17.7 8.99
5.17 775.86 27.4 14.8 681.44 15.2 7.73
18.54 776.72 41.2 22.26 681.77 17.9 9.08
18.37 778.3 8.2 4.45 683.3 6.8 3.43
3.24 778.87 4.8 2.61 683.54 7.9 4.03
6.58 779.77 18.4 9.92 683.76 5.3 2.67
5.42 780.65 21.7 11.75 685.05 30.2 15.31
3.73 782.03 10.5 5.69 685.6 32.9 16.68
17.39 782.43 19.5 10.56 687.17 70.8 35.94
3.44 783.51 10.1 5.46 687.73 53.3 27.05
1.18 784.06 8.3 4.5 689.04 35 17.74
7.28 784.88 9 4.85 689.4 27.6 14.03
3.23 786.09 33.2 17.96 690.85 12.7 6.43
5.8 786.67 39.7 21.46 691.35 14.8 7.51
6.59 787.5 11.8 6.37 691.7 8 4.06
4.43 788.75 34.1 18.44 692.41 4.9 2.47
3.43 789.69 31.4 16.99 693.33 41.2 20.93
9.83 790.56 12.8 6.92 695.23 33.7 17.08
5.63 790.93 5.8 3.13 695.72 8.4 4.26
4.84 791.91 7.7 4.16 697.07 7.1 3.6
28.6 792.89 10.3 5.55 697.58 16.2 8.23
8.68 793.28 3.9 2.13 697.93 6.6 3.33
5.12 794.83 13.4 7.22 699.26 12.8 6.48
14.14 795.38 13.5 7.28 699.68 8.7 4.44
3.98 795.86 2.9 1.55 700.03 4.4 2.25
2.24 796.95 2.1 1.13 701.64 26.3 13.36
3.68 798.27 37.8 20.44 702.31 16.8 8.53
5.22 798.83 11.6 6.29 703.36 57.5 29.16
6.61 799.77 2.3 1.26 703.98 14.9 7.56
24.66 800.49 9 4.87 704.42 8.7 4.43
14.94 800.79 4.7 2.53 705.23 72.1 36.59
8.36 801.44 29 15.7 705.83 12.6 6.39
5.44 802.24 21.1 11.42 706.52 11.8 6
4.09 804.01 19.7 10.66 708.19 95.7 48.6
3.04 804.45 11.4 6.17 709.53 18.3 9.28
1.24 804.71 8.9 4.82 709.89 10.1 5.11
0.94 804.91 5.7 3.06 710.77 5.2 2.64
6.36 805.74 7.9 4.24 711.42 26.7 13.56
3.61 806.3 3.1 1.7 711.88 8.4 4.27
2.48 807.02 14.5 7.86 713.53 7.9 4.03
1.41 807.79 20.9 11.29 714.6 8.7 4.43
7.97 808.36 9.3 5.02 715.83 6.3 3.19
9.25 808.97 17.8 9.6 716.69 14.4 7.31
1.37 809.64 17.2 9.3 717.03 7.7 3.93
1.72 810.07 8.5 4.59 717.97 10.8 5.48
2.05 810.51 3.5 1.87 718.44 8.5 4.3
1.85 811.43 22.5 12.18 719.62 6.3 3.18
2.41 812.52 5.3 2.84 719.91 5.8 2.92
5.22 813.43 5.2 2.8 720.64 3.7 1.87
2.36 814.21 31 16.73 721.55 35.3 17.91
7.47 814.77 6.4 3.44 723.56 15.4 7.83
0.39 815.51 10.8 5.82 723.99 4.3 2.19
8.22 816.58 14.6 7.9 724.66 1.7 0.85
1.04 817.82 61.6 33.27 725.67 13.3 6.77
4.07 819.01 35.1 18.99 726.12 1.4 0.71
5.69 820.78 10.2 5.51 726.58 1.6 0.81
8.84 821.59 8.8 4.77 727.46 21.7 11.04
9.52 823.21 1.9 1.04 727.91 14.1 7.16
11.63 824.51 18.9 10.24 729.67 2.7 1.38
3.54 825.95 27.9 15.06 731 23.6 11.99
10.73 826.36 11.8 6.36 732.11 4.9 2.48
9.5 826.69 12.6 6.83 733.37 18.2 9.26
9.63 827.52 11.6 6.28 733.8 8.7 4.42
20.74 827.77 5.7 3.11 734.32 1.8 0.93
14.36 828.1 4.6 2.49 735.31 15 7.61
9.94 829.13 27.6 14.89 735.71 15.6 7.94
5.49 829.7 18.1 9.79 737.89 21.4 10.85
11.59 830.95 40.7 22.02 738.29 4.2 2.15
1.26 831.8 23.2 12.51 738.66 1.7 0.85
12.33 832.27 11.6 6.26 739.36 16 8.12
7.83 832.97 80.4 43.46 740.53 9.8 5
9.65 834.08 28.1 15.18 741.5 12.1 6.14
4.51 834.92 9.8 5.29 741.93 7.7 3.88
3.85 835.26 4.3 2.33 742.89 8.2 4.18
10.81 835.77 17.4 9.41 743.74 9.5 4.81
2.49 836.89 26.9 14.54 745.34 23.1 11.7
3.74 837.3 11.4 6.15 746.26 14.3 7.26
4.07 838.16 12.6 6.8 746.75 17.9 9.06
2.68 838.6 9.6 5.19 747.03 13 6.62
17.44 839.4 34.1 18.44 747.72 8.1 4.1
31.54 839.96 30.3 16.39 748.64 11.7 5.95
19.13 840.9 20.3 10.96 750.68 6.8 3.45
7.28 841.83 25.7 13.87 751.54 19.1 9.7
18.23 842.74 22.5 12.17 751.96 7.1 3.6
14.41 843.62 42.1 22.78 753.5 16 8.11
9.01 844.02 33 17.81 754.52 5.3 2.69
4.87 844.83 19.5 10.55 755.4 10.9 5.55
5.66 845.57 59.8 32.3 755.88 2.3 1.18
3.97 846.05 40.2 21.74 757.38 7.6 3.88
3.23 846.86 60.6 32.73 757.81 10.3 5.21
4.1 847.71 40.2 21.75 758.77 7 3.55
2.32 848.77 41.9 22.62 759.65 13.7 6.93
12.88 849.82 22.6 12.22 761.27 6.6 3.37
7.51 850.56 23.2 12.56 763.19 4.6 2.32
1.62 850.89 15.8 8.53 763.83 2.6 1.33
16.14 851.66 6.7 3.63 764.33 0.8 0.42
17.37 852.11 5 2.68 765.13 3.8 1.93
9.81 852.55 6.4 3.48 765.53 0.9 0.47
22.55 853.33 13.4 7.27 766.82 28.5 14.44
7.56 853.69 13.7 7.39 767.28 5.8 2.97
7.81 854.39 5.4 2.93 767.63 7.3 3.7
6.38 855.12 24.3 13.12 768.3 1.7 0.87
16.25 855.87 41.8 22.59 768.53 1.5 0.76
7.14 856.63 30.1 16.26 769.35 5.6 2.86
5.02 857.94 50.3 27.19 769.72 2.6 1.3
11.35 858.88 35.6 19.24 771.28 15 7.62
14.7 859.1 29.8 16.1 772.51 9.6 4.88
4.9 859.8 67.2 36.3 772.98 4.8 2.45
3.58 860.28 18.2 9.83 774.45 19.4 9.87
3.8 860.78 47.3 25.55 774.85 15.8 8.03
15.62 861.9 10.5 5.66 775.84 4.7 2.36
22.24 862.71 16.4 8.88 776.23 13.9 7.08
34.35 863.55 23.8 12.84 776.7 12.5 6.34
7.64 864.37 11.7 6.32 777.47 1.5 0.78
39.85 865.91 18.5 9.98 778 0.6 0.31
16.07 867.56 11 5.96 778.68 3 1.5
10.02 867.86 6 3.26 779.68 11.5 5.85
5.68 868.64 7.8 4.22 780.73 7.7 3.93
3.82 869.23 1.9 1.04 781.3 12.4 6.29
11.47 869.83 18 9.72 781.74 8.7 4.41
6.28 870.82 61.8 33.41 782.39 7.8 3.97
6.08 871.74 38.4 20.74 783.37 5.9 3.01
3.53 872.28 20.6 11.14 784.49 18.2 9.25
0.62 872.72 23.6 12.76 785.79 10.4 5.27
5.55 873.08 18.2 9.83 786.13 5.2 2.63
1.31 874.96 86.6 46.81 786.7 1.1 0.58
7.62 875.81 30.8 16.66 788.32 5.5 2.77
14.96 876.58 7.6 4.09 788.77 12.1 6.14
26.71 876.95 8.1 4.36 789.45 37.3 18.95
31.3 877.39 4.8 2.58 790.49 16.1 8.18
33.8 877.82 3.6 1.94 790.96 4.2 2.13
22.22 878.99 7.2 3.9 791.57 15.1 7.67
27.73 879.68 12 6.5 791.86 9.7 4.93
5.54 881.8 11.1 6.01 793.04 9.6 4.87
8.6 882.41 12 6.49 793.26 6.9 3.49
13.84 883.97 46.7 25.26 793.96 6.6 3.32
3.85 884.9 21.2 11.44 794.75 7.6 3.87
3.73 885.77 95.6 51.68 795.49 8.5 4.32
6.67 886.84 36 19.44 796.54 2.4 1.22
14.61 887.28 23.1 12.5 797.06 3.7 1.87
5.14 887.71 73.4 39.66 798.23 5 2.56
12.11 888.07 49.2 26.58 798.63 9 4.59
2.75 888.93 79.5 42.98 799.33 2.1 1.09
19.45 889.74 21.7 11.74
12.05 890.11 25.3 13.68
37.08 890.87 12.7 6.89
32.35 891.21 8.7 4.68
8.67 892.09 49.3 26.63
36.02 892.56 11.3 6.09
34.21 893.05 10.6 5.75
8.07 894.83 26.3 14.22
5.16 895.21 12 6.46
3.18 895.54 4.2 2.27
1.85 896.16 8.9 4.82
11 896.84 24.1 13.01
5.72 897.12 16.8 9.09
6.98 897.92 28.8 15.56
4.5 898.73 69.8 37.74
4.23 899.8 61.7 33.32
9.19
9.35
4.47
9.25
5.85
Background #2 NL 368.5 +ve Background #3 NL 368.5 +ve
m/z Intensity Relative m/z Intensity Relative

600.09 6.8 2.97 601.45 11.9 4.37


601.49 13.2 5.72 603.23 10.5 3.85
601.86 4.8 2.09 603.69 2.3 0.85
603.54 16.2 7.05 604.43 16.3 6
604.6 1.7 0.74 605.14 33.2 12.24
605.54 48.8 21.17 605.62 21.8 8.04
607.38 20.7 8.97 606.37 18.2 6.71
609.23 18.5 8.01 607.12 14.7 5.43
609.67 14 6.1 607.62 17.2 6.35
610.03 3.2 1.37 607.98 4.5 1.66
610.27 2.2 0.94 608.71 2 0.74
610.57 4.1 1.8 609.46 27.3 10.04
610.79 4.9 2.12 611.05 10.4 3.82
611.55 6.7 2.89 611.69 7.5 2.77
612.03 2.2 0.97 612.85 14.9 5.5
612.78 12.4 5.36 613.4 10.3 3.78
613.5 2.1 0.89 615.25 5.4 2
614.62 4.4 1.91 615.67 4.3 1.59
614.95 6.3 2.72 617.39 25.6 9.45
615.37 5 2.18 617.79 30.5 11.22
616.04 1.6 0.68 618.15 18 6.62
617.61 88.7 38.5 618.52 15.2 5.6
619.44 23.1 10.04 619.36 15.7 5.78
619.94 23.3 10.11 619.84 11.1 4.08
620.45 3.3 1.45 620.19 13.2 4.87
621.52 7.2 3.14 621.2 10 3.67
621.76 3.6 1.57 621.71 7.9 2.89
623.03 36.2 15.73 623.44 6.6 2.42
623.52 18.3 7.96 623.94 2.8 1.03
624.56 10.7 4.65 624.69 6.2 2.28
625.4 21.8 9.48 625.35 16.1 5.94
626.8 6.6 2.87 627 9.9 3.66
627.4 4.8 2.09 627.6 3 1.09
628.04 7.7 3.36 629.57 5.7 2.1
628.43 2.5 1.06 631.4 51 18.77
628.91 10.2 4.41 633.74 34.6 12.75
629.37 9.3 4.03 635.28 16.6 6.13
629.63 7.5 3.25 635.72 14 5.15
629.81 4.5 1.95 636.84 14.3 5.28
631.79 15.3 6.64 637.27 11.5 4.24
632.15 4.1 1.76 637.63 4.3 1.6
633.71 39.1 16.98 638.37 0.3 0.12
634.1 8.5 3.69 639.07 18.1 6.66
634.82 15.6 6.75 639.95 1.7 0.62
635.22 21.6 9.39 641.59 13.5 4.96
635.62 22.3 9.68 643.92 2.2 0.81
636.37 6.6 2.87 645.43 271.5 100
637.45 12.6 5.47 646.37 19.3 7.09
637.83 9.5 4.11 647.47 112 41.24
639.08 25 10.84 649.27 33.3 12.26
640.5 0.4 0.18 649.67 21.8 8.01
641.61 15.3 6.64 650.11 2.9 1.07
643.09 11.9 5.15 650.54 2.4 0.9
643.97 9.5 4.12 651.51 29.8 10.99
645.46 230.4 100 652.23 1.6 0.58
647.51 91.4 39.66 654.58 10.1 3.71
648.49 18.6 8.05 655.01 8.2 3.03
649.52 29.6 12.86 655.65 5.1 1.9
649.89 12.9 5.61 656.03 5.3 1.94
650.36 4.6 2.01 657.24 48.5 17.85
651.53 30.8 13.35 659.59 134 49.36
652.54 17.1 7.44 661.62 43.8 16.15
653.48 14.6 6.34 663.59 21.1 7.77
654.56 6.2 2.7 664.42 34.8 12.8
655.21 0.8 0.34 665.46 55.9 20.59
655.97 9 3.92 667.53 5.5 2.04
656.45 1.7 0.73 668.46 19.5 7.19
657.28 49.8 21.63 669.75 7.2 2.66
659.44 133.2 57.79 670.59 17.1 6.29
661.46 77.2 33.5 671.5 99.4 36.62
662.45 23.4 10.13 673.51 257.6 94.88
663.71 51.7 22.43 674.53 36.4 13.42
664.08 10.8 4.67 675.35 18.8 6.94
665.1 49.9 21.66 675.82 10.9 4
666.28 9.5 4.12 677.4 72.6 26.74
667.26 13.9 6.04 677.79 25.2 9.27
668.29 14 6.08 678.56 28.3 10.43
669.23 25.5 11.05 679.35 74.3 27.37
670.49 9.9 4.29 680.47 21.6 7.97
671.61 141.3 61.31 681.26 17.7 6.51
672.5 15.4 6.7 681.71 4.4 1.61
673.54 201 87.21 681.93 3.3 1.21
674.67 20.9 9.07 682.2 1.5 0.55
675.33 25 10.84 682.45 1.7 0.63
675.78 14.9 6.46 682.7 0.9 0.34
676.42 10.8 4.68 683.27 11.7 4.3
677.64 71.9 31.22 683.76 6.1 2.24
678.01 19 8.25 684.43 3.3 1.2
678.96 15.1 6.53 685.28 39.8 14.65
679.73 40.2 17.43 685.68 10.8 3.98
680.51 4.9 2.15 685.96 5.9 2.16
681.38 15.8 6.84 687.61 63.9 23.54
681.71 9.1 3.97 688.27 6.7 2.47
682.11 2.9 1.27 689.36 23.3 8.57
683.18 16.3 7.06 689.62 13.6 5.02
683.5 5.7 2.49 689.87 11.5 4.22
683.8 2.2 0.94 690.26 15.3 5.62
685.35 36.8 15.98 691.35 74.1 27.29
685.72 18.2 7.88 692.07 7.8 2.87
686.31 5.5 2.37 693.5 23.1 8.53
687.24 91.3 39.6 694.93 9.6 3.53
687.71 69.6 30.18 695.3 17.5 6.43
689.1 39.7 17.23 695.67 11.5 4.24
689.43 16.7 7.23 696.37 7.4 2.72
690.25 14.6 6.35 696.91 5.4 2
690.61 6.4 2.79 697.87 8 2.95
691.49 36.1 15.65 698.15 9.8 3.61
692.46 12.4 5.38 698.78 6.2 2.28
693.45 19.9 8.65 699.52 23.8 8.78
693.83 15.2 6.57 701.42 29.3 10.8
694.83 14.1 6.1 701.73 23.3 8.57
695.23 18.5 8.03 702.07 14.2 5.21
696.21 13.8 5.98 702.4 10.1 3.72
697.67 8.6 3.74 703.77 75.4 27.77
698.03 6.4 2.79 704.67 6.1 2.27
699.61 16.9 7.35 705.57 54.1 19.92
700.53 19.4 8.42 705.99 23 8.46
700.92 13.9 6.05 706.43 11.8 4.35
701.69 18 7.82 706.85 2.1 0.79
701.95 12.8 5.57 708.37 43.4 15.99
702.32 19.3 8.39 708.87 20.4 7.52
702.73 10.2 4.41 709.22 12.8 4.71
703.49 13.5 5.86 709.73 4.4 1.64
704.04 2.8 1.22 710.11 4.8 1.77
704.53 2.5 1.09 711.36 16.7 6.16
705.64 51.7 22.45 712 5.5 2.04
706.01 10.1 4.37 712.64 3.1 1.16
706.5 21.7 9.42 713.38 6.8 2.51
707.05 15.9 6.88 713.75 4.1 1.51
707.52 15 6.53 714.97 9 3.32
708.32 164.4 71.33 715.77 7.8 2.88
709.32 16.3 7.07 716.41 4.7 1.73
709.83 14.4 6.23 716.73 12.2 4.48
710.35 5.4 2.36 717.64 6.8 2.5
711.55 9.3 4.05 718.86 8.7 3.22
712.28 3.6 1.56 719.66 16 5.9
712.66 6.1 2.63 721.02 14.5 5.35
713.57 25.6 11.1 721.36 18.9 6.98
715.97 6 2.6 722.31 14.3 5.28
716.73 4.4 1.9 723.36 47.2 17.4
717.8 23.8 10.34 724.06 6.6 2.42
718.45 3.3 1.43 725.09 18 6.62
719.16 33.3 14.45 726.09 11 4.04
720.53 9.4 4.07 726.45 4.4 1.62
721.38 21.4 9.28 727.28 20 7.35
722.22 7 3.05 729.67 20.8 7.68
722.93 8.1 3.49 730.11 2.2 0.83
723.57 14.1 6.12 730.6 5.9 2.17
724.01 0.7 0.29 731.35 5.7 2.1
724.9 25.2 10.92 732.54 1.8 0.67
725.98 10.6 4.61 733.39 12 4.42
727.07 17.1 7.43 734.51 9.9 3.64
727.54 5.5 2.37 734.88 3 1.1
728.54 10.5 4.56 736.52 6.8 2.52
728.89 12.2 5.27 736.86 3 1.1
729.26 31.3 13.6 737.52 21.3 7.84
729.61 13.6 5.88 738.37 16.3 6.01
730.61 7.2 3.11 739.36 46.5 17.13
731.42 19.9 8.63 740.36 14.3 5.26
732.36 6.8 2.97 740.77 11.9 4.39
733.4 15.2 6.58 741.2 7.6 2.8
733.68 7.3 3.16 741.7 3.6 1.32
733.99 5.1 2.2 743.91 37 13.64
734.42 0.5 0.22 745.76 46.4 17.11
735.35 34.3 14.87 746.58 21.3 7.86
736.08 0.7 0.28 747.33 2.1 0.76
736.8 7.5 3.26 748.4 13.6 5
737.78 18.3 7.92 748.81 6.1 2.26
738.76 20.7 8.97 749.22 3.4 1.25
739.37 5.1 2.22 749.64 11.9 4.38
739.63 4.3 1.88 751.06 7.2 2.66
741.32 16.2 7.04 751.88 25 9.21
741.92 11.4 4.93 752.4 5.1 1.87
742.5 5.4 2.33 752.76 3.6 1.32
742.83 5.2 2.26 753.63 9.9 3.64
743.23 7.1 3.07 753.83 6.3 2.32
743.57 5.2 2.27 755.51 4.5 1.65
745.6 9.9 4.31 755.78 3.4 1.24
746.03 5.4 2.33 756.18 2.2 0.82
746.75 6.7 2.89 757.33 15.3 5.65
747.07 5.5 2.38 757.7 13.7 5.06
747.86 13.8 6 758.28 6.7 2.46
748.69 20.3 8.81 758.67 4.4 1.61
750.07 13.2 5.74 759.13 7.3 2.69
751.8 17.8 7.72 759.45 4.5 1.66
752.46 1.3 0.58 759.74 6.2 2.27
753.2 21.5 9.35 760.11 8.4 3.08
753.53 10.7 4.65 760.47 4.7 1.71
754.01 6.9 3 761.62 7.3 2.68
755.94 7.3 3.19 763.28 11.7 4.31
756.22 5.8 2.54 764 12 4.4
757.01 25.2 10.95 764.87 6.1 2.24
757.46 25.8 11.21 765.75 5.9 2.19
758.43 9.1 3.94 766.59 10.3 3.79
760.95 7.1 3.07 767.78 14.4 5.31
761.19 5.2 2.25 769.28 14 5.14
761.45 3.7 1.59 769.63 8.7 3.19
761.74 3.5 1.53 769.99 5.8 2.13
763.1 21.1 9.17 771.53 15.4 5.68
763.61 7.3 3.15 771.78 9.4 3.46
764.4 13.8 6.01 772.51 26 9.57
765.84 20.9 9.05 773.95 10.1 3.7
766.48 7 3.04 774.26 10.7 3.96
766.92 14.8 6.42 775.18 9.8 3.6
767.32 6.5 2.81 775.53 8.7 3.2
768.59 8.4 3.66 776.61 10 3.69
769.41 18.3 7.93 776.99 13.3 4.89
771.55 12.2 5.27 777.35 5.3 1.95
771.77 10.4 4.51 777.58 2.1 0.79
772.42 7.7 3.36 778.4 1.6 0.58
773.45 2.8 1.22 779.43 9.7 3.58
774.34 2.2 0.96 780.25 21.6 7.97
776.29 14.3 6.2 780.71 15.7 5.77
778.04 4.9 2.13 781.55 24.7 9.11
778.48 7.6 3.28 782.14 3.4 1.23
780.27 21.6 9.38 782.88 10.9 4
781.51 10.5 4.54 783.54 11 4.04
782.13 2 0.87 783.78 9.9 3.66
782.63 2.7 1.18 784.59 18.1 6.68
783.44 14.6 6.35 784.89 10.8 3.99
783.91 7.6 3.31 785.86 4.1 1.51
784.27 2.5 1.08 786.42 6.4 2.35
785.21 6.9 2.99 786.79 1 0.37
785.45 5.8 2.51 787.16 4.2 1.56
785.68 3.5 1.52 787.66 15.7 5.77
786.49 15.5 6.72 791.28 4 1.48
788.05 24.5 10.65 791.61 2.1 0.79
788.84 3.3 1.43 792.29 2.4 0.89
789.17 4.2 1.84 792.96 19.3 7.11
789.5 3.2 1.37 793.45 6 2.2
790.46 5.8 2.54 794.4 11 4.04
790.74 4 1.75 795.21 9.9 3.65
791.89 2 0.85 795.84 6.6 2.44
793.28 6.1 2.64 796.59 15.1 5.56
794.46 15.6 6.77 798.53 8.4 3.08
794.78 24.2 10.52 799.96 10.4 3.84
795.24 18 7.83
795.64 7.8 3.4
796.1 4.2 1.83
796.4 3.7 1.61
797.23 14.2 6.18
799.01 17.5 7.58
799.89 1.2 0.53
Unknown D #1 Q1MS +ve Unknown D #2 Q1MS +ve Unknown D #3 Q1MS +ve

m/z Intensity Relative m/z Intensity Relative m/z Intensity

801.37 767867.1 2.12 801.37 761549.1 2.1 801.37 790276.4


803.44 2006015 5.54 803.44 2007695 5.53 803.44 2010155
804.67 599809.4 1.66 804.67 594675 1.64 804.67 601222.3
805.63 234022.1 0.65 805.63 226179.1 0.62 805.63 230181
807.32 258467 0.71 807.32 257917 0.71 807.32 257028.7
809.47 1124966 3.11 809.47 1122026 3.09 809.48 1096961
810.68 404232.1 1.12 810.69 405001.7 1.12 810.69 398946.7
811.57 526020.7 1.45 811.57 528296.1 1.46 811.57 518991.4
813.48 367223.7 1.01 813.26 493929.5 1.36 813.27 486715.1
815.38 671808.9 1.86 815.38 685743.9 1.89 815.38 685693.6
817.36 944252.6 2.61 817.37 967141 2.66 817.36 964656
818.68 240011 0.66 818.68 253928.1 0.7 818.69 242439.2
819.6 189991.5 0.52 819.6 195967.4 0.54 819.61 195551
821.25 184708.2 0.51 821.26 188742 0.52 821.26 193929.6
823.44 597887.1 1.65 823.44 598013.8 1.65 823.45 584535.4
825.3 712155.7 1.97 825.3 718904.9 1.98 825.31 694702.8
827.41 1231574 3.4 827.41 1265617 3.49 827.41 1240567
829.44 3375128 9.33 829.44 3449416 9.5 829.44 3405056
830.69 1199116 3.31 830.69 1224373 3.37 830.69 1208265
831.64 600605.1 1.66 831.64 592535.4 1.63 831.64 590238
832.7 169164.4 0.47 832.7 175197.9 0.48 832.7 176528
833.6 144013.1 0.4 833.6 149903.3 0.41 833.6 147724.5
835.29 170244.4 0.47 835.27 172808.3 0.48 835.3 167379.2
837.42 318138.6 0.88 837.41 331840.6 0.91 837.42 330676.2
839.29 346575.3 0.96 839.3 355795.9 0.98 839.3 357393.9
841.43 720650.3 1.99 841.43 719635.6 1.98 841.43 732743.6
843.41 1540868 4.26 843.41 1548527 4.27 843.41 1545277
844.7 495900.9 1.37 844.7 507039.8 1.4 844.7 496408
845.61 463325.8 1.28 845.61 460148.4 1.27 845.61 461897.4
846.69 147774.7 0.41 846.69 146962.9 0.4 846.7 153410.9
847.61 125399.9 0.35 847.61 130527.4 0.36 847.61 130800.9
849.32 158410.2 0.44 849.32 171392.6 0.47 849.31 168305.6
851.41 277288.3 0.77 851.41 284092.8 0.78 851.41 285220.8
853.5 743316.3 2.05 853.5 773785.8 2.13 853.5 776816.6
855.5 1878663 5.19 855.5 1924060 5.3 855.5 1934304
856.77 675627.4 1.87 856.77 696385.7 1.92 856.77 701487.1
857.67 471394 1.3 857.67 486493 1.34 857.67 483180.4
858.69 136365.8 0.38 859.55 277377.3 0.76 859.51 293838.2
859.55 268195.7 0.74 860.68 89494.9 0.25 860.72 99956.5
860.67 83874.3 0.23 861.59 113191.1 0.31 861.61 102110.5
861.58 102620 0.28 862.51 25687.8 0.07 863.48 69876.8
862.68 36972.7 0.1 863.59 56373.8 0.16 865.33 96553.2
863.6 55412.9 0.15 865.36 99758.6 0.27 867.41 190509.2
865.37 93533.5 0.26 867.42 189295 0.52 869.42 377873.8
867.44 187478.5 0.52 869.42 379711.4 1.05 871.3 389269.6
869.45 369956.2 1.02 871.31 384307.5 1.06 872.66 99476.7
871.3 382773 1.06 872.74 122809.8 0.34 873.62 150359.2
872.7 105210.4 0.29 873.62 151114.3 0.42 875.33 228202
873.59 156849.2 0.43 875.34 224920.3 0.62 877.53 769027.1
875.32 217590.4 0.6 877.53 773086.6 2.13 879.55 3169989
877.53 719178.9 1.99 879.55 3168430 8.73 881.51 8661652
879.55 3017308 8.34 881.51 8600179 23.69 882.77 3380171
881.52 8347733 23.06 882.77 3343500 9.21 883.75 1520848
882.77 3292212 9.1 883.75 1517487 4.18 884.83 424808.7
883.75 1490878 4.12 884.83 432657.1 1.19 885.72 243563.4
884.83 427895.6 1.18 885.72 251492 0.69 886.75 92407
885.73 254782.5 0.7 886.75 90958.2 0.25 887.63 104004.5
886.75 93955.8 0.26 887.64 103251.4 0.28 889.27 114803.6
887.64 103437.2 0.29 888.65 41043.9 0.11 891.4 166832.1
888.61 33851.8 0.09 889.58 80357 0.22 893.53 623516.3
889.54 81726.6 0.23 891.39 166544.6 0.46 895.5 1633338
891.41 164597.7 0.45 893.53 633285.5 1.74 897.57 1257102
893.53 638952.7 1.77 895.5 1671122 4.6 898.77 431669
895.51 1712205 4.73 896.7 540505.7 1.49 899.7 348990.2
897.64 1169532 3.23 897.61 1235357 3.4 901.37 417277.6
898.77 441945.9 1.22 898.77 447708.2 1.23 903.54 1502653
899.69 347732.8 0.96 899.7 360790.6 0.99 905.53 4644146
901.36 412428.8 1.14 901.36 427943.4 1.18 907.52 12647552
903.54 1455071 4.02 903.54 1530389 4.22 908.79 5485885
905.53 4528132 12.51 905.53 4666520 12.85 909.76 3224083
907.52 12310143 34.01 907.52 12649514 34.84 910.81 1514066
908.79 5340318 14.75 908.79 5490427 15.12 911.74 1024978
909.76 3193705 8.82 909.78 3353985 9.24 912.78 442075.6
910.77 1428701 3.95 910.84 1396642 3.85 913.71 407088.5
911.7 1153379 3.19 911.74 1050490 2.89 915.36 450461.8
912.78 448127.6 1.24 912.78 449730.1 1.24 917.37 410549.3
913.7 407557.4 1.13 913.7 410244.6 1.13 919.52 1101753
914.65 117253.9 0.32 915.58 347126.5 0.96 921.51 2804054
915.58 348542.8 0.96 917.39 432837.9 1.19 923.35 3169887
917.39 423695 1.17 919.52 1113050 3.07 924.79 988688.6
919.53 1116530 3.08 921.51 2845107 7.84 925.71 962418.7
921.51 2894410 8 923.35 3173890 8.74 926.76 385940.3
923.35 3198204 8.84 924.79 987563.7 2.72 927.67 510599.2
924.79 1005147 2.78 925.71 952972.6 2.62 928.73 178018.4
925.71 964375.1 2.66 926.76 391502.3 1.08 929.6 276437.5
926.8 413647.1 1.14 927.67 492504 1.36 931.4 578975.6
927.7 440402.9 1.22 928.77 202652.9 0.56 933.35 673665.8
928.77 186485.2 0.52 929.64 250265 0.69 935.52 1956313
929.64 242356.1 0.67 931.4 567875.5 1.56 937.4 2671148
931.41 575648.3 1.59 933.37 694786.3 1.91 938.79 922020.4
933.38 719119.5 1.99 935.52 2023899 5.57 939.71 982968.6
935.54 2029727 5.61 937.4 2767777 7.62 941.39 1320804
937.39 2824555 7.8 938.79 965330.5 2.66 942.77 369248.3
938.79 975827.3 2.7 939.71 1005867 2.77 943.7 285654.1
939.71 1030101 2.85 941.39 1343070 3.7 944.65 81331.6
941.38 1345007 3.72 942.77 373454.1 1.03 945.69 194612.2
942.8 382797.2 1.06 943.7 284135.2 0.78 947.47 422831.4
943.74 252612.7 0.7 945.61 222535.6 0.61 949.38 459872.5
945.62 212068.3 0.59 947.47 416843.3 1.15 951.45 762255
947.46 412824.3 1.14 949.38 459412.3 1.27 953.43 1301887
949.37 452059.7 1.25 951.46 753135.4 2.07 954.78 443753.2
951.46 745956 2.06 953.43 1326251 3.65 955.71 439826.4
953.43 1271312 3.51 954.79 461451.8 1.27 956.76 178656.2
954.78 432546.8 1.2 955.71 444718.1 1.22 957.68 249988.1
955.71 422488.2 1.17 956.76 179929 0.5 958.79 106730.9
956.76 166575.2 0.46 957.68 240705.7 0.66 959.71 99567.6
957.68 222878.1 0.62 958.79 105323 0.29 960.65 32766.8
958.78 96626.5 0.27 959.71 102240.2 0.28 961.73 62412.7
959.71 93659.8 0.26 961.68 65031.1 0.18 963.4 105938.1
960.64 29702.5 0.08 963.38 104203.9 0.29 965.46 196277.8
961.04 15880 0.04 965.46 212268.4 0.58 967.48 546005.1
961.69 62532.8 0.17 967.5 546843.4 1.51 968.77 199258.5
963.41 104554.1 0.29 968.77 203462.8 0.56 969.68 296971.3
965.46 198135.9 0.55 969.68 290876.3 0.8 971.4 374860.8
967.49 560434.1 1.55 971.4 382078 1.05 973.49 510280.1
968.77 202723 0.56 973.49 519473.2 1.43 974.84 153776.5
969.68 291274.1 0.8 974.83 154474.4 0.43 975.74 96766.6
971.39 361737.3 1 975.75 96696.4 0.27 977.39 164315.6
973.47 473091.8 1.31 977.4 170667.4 0.47 979.47 466125.2
974.8 156963.2 0.43 979.47 479237 1.32 980.73 193707.1
975.75 92476.4 0.26 980.73 204581.6 0.56 981.7 155078.4
977.4 162099.6 0.45 981.7 158973.5 0.44 983.4 225888.7
979.47 463478.2 1.28 983.4 213221.6 0.59 984.68 60195.7
980.69 181250.6 0.5 984.77 68909.2 0.19 985.61 126443.5
981.66 160689.8 0.44 985.69 105852.8 0.29 987.04 28820.9
983.38 194515.2 0.54 986.77 49782.2 0.14 987.73 65389.6
985.54 122190.6 0.34 987.67 67320.6 0.19 988.73 35111.7
987.59 74128.2 0.2 988.73 39565.6 0.11 989.72 48991.1
988.64 31373.7 0.09 989.69 47720.4 0.13 990.64 18101.8
989.13 12443.6 0.03 990.78 24963.1 0.07 991.69 44342.5
989.73 44815.1 0.12 991.7 39354.3 0.11 993.43 61479.6
990.68 19225.1 0.05 993.39 64186.5 0.18 995.44 94974.8
991.62 41781.5 0.12 995.41 98971.4 0.27 997.52 228809.5
993.37 61941.1 0.17 997.51 238665.8 0.66 999.6 854497.1
995.43 98445.1 0.27 999.59 880037.1 2.42
997.53 218983 0.61
999.58 791682.4 2.19
D #3 Q1MS +ve Unknown D #1 Q1MS -ve Unknown D #2 Q1MS -ve

Relative m/z Intensity Relative m/z Intensity Relative

2.16 200.96 22918.1 0.05 200.95 21776.6 0.04


5.5 202.15 712 0 202.02 684.9 0
1.65 202.98 3142.1 0.01 202.92 2409.3 0
0.63 205.05 2922.6 0.01 203.98 782.2 0
0.7 206.01 1009.6 0 205.07 2857.3 0.01
3 207.22 2079.1 0 206.02 769.4 0
1.09 207.8 326.5 0 207.26 2027.9 0
1.42 208.04 374 0 207.84 623.1 0
1.33 208.99 7383.9 0.01 208.97 6461.5 0.01
1.88 211 10344.7 0.02 211 7797.1 0.02
2.64 213.02 15584.4 0.03 212.01 1187.4 0
0.66 214.08 2084.1 0 213.04 14543.1 0.03
0.54 215.03 8361.7 0.02 215.31 3830.6 0.01
0.53 215.94 768.6 0 216.01 932.3 0
1.6 216.68 2227.7 0 217.03 3015.8 0.01
1.9 217.32 2308.3 0 217.92 732.4 0
3.4 217.98 876.9 0 219.04 2132.9 0
9.32 218.94 2549.7 0.01 219.56 749.1 0
3.31 219.46 962.1 0 220.13 1343.9 0
1.62 220 2653.1 0.01 221.09 2153.2 0
0.48 221.04 3693.6 0.01 222 437.3 0
0.4 221.93 432.6 0 223.01 3902.1 0.01
0.46 222.94 5212.8 0.01 224.95 18552.8 0.04
0.9 225 18102.3 0.04 227.09 85662.6 0.17
0.98 227.1 87054.1 0.17 228.24 7266.9 0.01
2.01 228.29 7982.2 0.02 229.25 2720.1 0.01
4.23 229.15 4013.3 0.01 231.18 3200 0.01
1.36 229.78 433.4 0 232.98 7555.5 0.02
1.26 231.4 1427.4 0 234.49 1353.9 0
0.42 232.95 10117.7 0.02 235.12 1759.9 0
0.36 234.11 2576.4 0.01 236.05 2546.5 0.01
0.46 235.11 2810.7 0.01 237.15 3537.5 0.01
0.78 236.03 1893.5 0 239.03 8904.4 0.02
2.13 236.46 815 0 241.08 107056.7 0.21
5.29 237.07 3457.3 0.01 242.21 10849.6 0.02
1.92 239.07 9240.3 0.02 243.23 5918.2 0.01
1.32 241.07 101953.1 0.2 244.97 3712.6 0.01
0.8 242.18 10786.4 0.02 246.02 1605.4 0
0.27 243.12 5739.4 0.01 247.83 20572.3 0.04
0.28 244.13 1164.4 0 249.21 4461.2 0.01
0.19 245.13 3550.7 0.01 250.13 687.5 0
0.26 245.98 1562.8 0 251.05 12965 0.03
0.52 246.86 5358.7 0.01 253.15 376353 0.75
1.03 248.03 15053.7 0.03 255.16 9945113 19.82
1.07 249.15 3730.6 0.01 256.26 1294129 2.58
0.27 251.04 12284.8 0.02 257.26 50955.4 0.1
0.41 253.15 373074.7 0.74 258.2 1625.9 0
0.62 255.16 9807197 19.48 259.11 7886.8 0.02
2.1 256.26 1281057 2.54 261.24 2602.5 0.01
8.68 257.25 50088.3 0.1 262.99 5505.6 0.01
23.7 258.86 11211.9 0.02 265.09 156371.2 0.31
9.25 261.03 5730.3 0.01 266.09 5379.5 0.01
4.16 262.02 1062.8 0 267.14 39381.9 0.08
1.16 263.11 5735.7 0.01 269.13 56209.6 0.11
0.67 265.09 153287 0.3 270.22 4967.1 0.01
0.25 266.1 5334.1 0.01 271.2 9932.2 0.02
0.28 267.11 39040.1 0.08 272.01 956.7 0
0.31 269.14 56236.6 0.11 273.12 6368 0.01
0.46 270.19 5290.3 0.01 275.09 7225.9 0.01
1.71 271.25 9417.1 0.02 277.17 302978 0.6
4.47 272.99 7152.8 0.01 279.17 5307089 10.58
3.44 275.03 8835.1 0.02 281.18 50165400 100
1.18 275.92 642.2 0 282.31 8480110 16.9
0.96 277.16 305109.8 0.61 283.25 4375136 8.72
1.14 279.17 5426622 10.78 284.29 530768.6 1.06
4.11 281.18 50342440 100 285.26 35105.1 0.07
12.71 282.31 8531093 16.95 286.13 2406.6 0
34.61 283.25 4379746 8.7 286.53 2134.6 0
15.01 284.29 520735.2 1.03 287.18 4712.1 0.01
8.82 285.27 37585.9 0.07 289.24 1585.7 0
4.14 286.19 2741.3 0.01 291.06 37626.1 0.08
2.81 287.12 5666.1 0.01 292.07 11297.3 0.02
1.21 287.96 849.1 0 293.11 142325.4 0.28
1.11 289.31 3274.1 0.01 295.14 234612.5 0.47
1.23 291.05 44063.4 0.09 297.12 251460.9 0.5
1.12 293.08 197309.3 0.39 299.17 756718.4 1.51
3.02 295.16 228567.4 0.45 300.34 52979.2 0.11
7.67 297.12 254089.8 0.5 301.24 42339.7 0.08
8.68 299.17 736978.5 1.46 303.03 15048.3 0.03
2.71 300.36 59162.1 0.12 304.09 1484.9 0
2.63 301.23 51735.2 0.1 304.45 788.1 0
1.06 303.04 16406.9 0.03 305.19 4365.4 0.01
1.4 304.12 930.6 0 307.06 36268 0.07
0.49 304.37 830.9 0 309.17 638477 1.27
0.76 305.16 5095.5 0.01 311.16 1070456 2.13
1.58 307.08 38033.4 0.08 312.33 82978 0.17
1.84 309.17 668938.5 1.33 313.27 25663.4 0.05
5.35 311.16 1033881 2.05 314.99 19469.6 0.04
7.31 312.34 83897.8 0.17 316.86 8799.7 0.02
2.52 313.27 27545.4 0.05 317.73 1025.9 0
2.69 315.09 19714.1 0.04 319.05 172989.6 0.34
3.61 317.08 9656.3 0.02 320.18 11031.6 0.02
1.01 319.06 192693.8 0.38 321.17 22148.7 0.04
0.78 320.13 10714.7 0.02 323.11 46472.7 0.09
0.22 321.14 25022.6 0.05 325.12 125339.2 0.25
0.53 323.1 48379.7 0.1 326.28 12710.7 0.03
1.16 325.12 126460.1 0.25 327.18 15462.5 0.03
1.26 326.31 13564.7 0.03 329.2 7885 0.02
2.09 327.24 14477.7 0.03 330.95 7369.3 0.01
3.56 329.06 8987 0.02 331.92 1001.4 0
1.21 331.06 7435.3 0.01 333.11 26024.7 0.05
1.2 333.07 32951.9 0.07 335.18 571041.9 1.14
0.49 335.18 725582.4 1.44 336.33 50400.1 0.1
0.68 336.32 62385.5 0.12 337.22 60517.4 0.12
0.29 337.23 73834.3 0.15 339.22 745475.4 1.49
0.27 339.23 746374.4 1.48 340.32 114444.4 0.23
0.09 340.36 102571.8 0.2 341.27 33936.9 0.07
0.17 341.27 37626.8 0.07 342.33 5252.3 0.01
0.29 342.27 5045.2 0.01 343.27 4516.7 0.01
0.54 343.2 5758.4 0.01 345.04 13443.2 0.03
1.49 345.09 15486.5 0.03 347.07 22049.4 0.04
0.55 346.05 5121.8 0.01 349.14 145140.4 0.29
0.81 347.12 31747.8 0.06 350.26 13993.3 0.03
1.03 349.15 150334.3 0.3 351.2 24695.6 0.05
1.4 350.25 15555.9 0.03 353.19 136140.1 0.27
0.42 351.15 31345.3 0.06 354.39 15811.7 0.03
0.26 353.2 139288.6 0.28 355.24 29985.5 0.06
0.45 354.26 15204.7 0.03 356.31 4539.6 0.01
1.28 355.2 37197.1 0.07 357.22 7564.4 0.02
0.53 356.3 6169.6 0.01 358.16 1400.2 0
0.42 357.18 9022 0.02 358.49 1134.6 0
0.62 358.23 2512.5 0 359.25 4607.9 0.01
0.16 359.15 4964.2 0.01 361.07 557118.3 1.11
0.35 361.07 579241.2 1.15 362.16 44390.9 0.09
0.08 362.17 47578.8 0.09 363.2 42126 0.08
0.18 363.21 44946.2 0.09 364.21 14780.8 0.03
0.1 364.26 17469.4 0.03 366.07 313035.3 0.62
0.13 366.03 269978.1 0.54 367.27 988257.1 1.97
0.05 367.25 1038741 2.06 368.37 113814.2 0.23
0.12 368.37 112811.1 0.22 369.36 16912.4 0.03
0.17 369.34 17975.6 0.04 371.01 18154.9 0.04
0.26 370.18 3145.2 0.01 373.11 14873.2 0.03
0.63 371.08 13973.3 0.03 375.14 26693.4 0.05
2.34 373.1 13546 0.03 377.05 1010058 2.01
374.1 3119.3 0.01 378.14 82834.7 0.17
375.15 32914.8 0.07 379.18 137906.4 0.27
377.05 1123245 2.23 380.18 10541.6 0.02
378.17 106539.1 0.21 381.23 103776.2 0.21
379.2 159204.4 0.32 382.42 17234.6 0.03
380.18 13533.7 0.03 383.26 17570.8 0.04
381.23 108521.2 0.22 384.19 4014.1 0.01
382.31 12813.3 0.03 385.17 8196.6 0.02
383.15 27366.3 0.05 387.08 10031.4 0.02
384.36 3440 0.01 389.16 23917.8 0.05
385.24 6967.4 0.01 391.15 144605 0.29
387.08 10763.6 0.02 393.16 619677 1.24
389.12 26112.7 0.05 394.18 41721.7 0.08
391.14 142759.9 0.28 395.3 1126257 2.25
393.16 663940 1.32 396.44 162293.7 0.32
394.18 43578.8 0.09 397.35 62545.8 0.12
395.3 1156581 2.3 398.25 7013.8 0.01
396.44 164222.7 0.33 399.17 29322.5 0.06
397.35 64087.6 0.13
399.12 36674.7 0.07
Unknown D #3 Q1MS -ve Unknown D #1 NL 59.1 +ve Unknown D #2 NL 59.1 +ve

m/z Intensity Relative m/z Intensity Relative m/z Intensity

200.97 10957 0.03 701.76 11.8 23.24 701.67 7.6


202.5 496.7 0 702.7 14.9 29.24 702.83 13.2
203.06 1458 0 703.28 9.9 19.48 703.75 4.1
204.76 869.4 0 704.83 0.9 1.73 714.5 2.2
205.22 676.9 0 716.82 7.9 15.53 717.58 9.5
206.03 302.1 0 724.42 5.7 11.21 724.67 2.3
206.94 2504.6 0.01 730.5 1.4 2.82 734.33 1.3
208.11 230.2 0 732.67 5 9.77 752.75 12.4
209.01 3522.8 0.01 734.75 3 5.88 784.77 3.9
210.06 1163.8 0 740.33 0.9 1.7 844.17 1.5
211.07 4770.5 0.01 751.58 3.9 7.67 856.08 6.9
212 756.2 0 788.5 5.4 10.57 857.83 11.7
213.06 13037.5 0.03 795 6.4 12.5 874.92 6
214.2 1022.1 0 800 30.1 59.18 876.42 17.9
215.07 5474.2 0.01 814.67 4.2 8.29
216.05 743.8 0 824.67 5.9 11.57
217.25 1388.5 0 845.08 7.5 14.71
219.05 1124.6 0 859.58 1.9 3.78
219.53 618.9 0 866.92 1.1 2.21
221.23 1432.5 0 874.75 0.9 1.7
223.06 2713.1 0.01 886.17 10.4 20.39
225.02 13524.7 0.03 898 3.6 7.08
227.12 60896.5 0.14
228.23 6383.1 0.02
229.17 3345.4 0.01
230.03 847.9 0
230.93 2390.8 0.01
232.07 460 0
233.05 4181.6 0.01
234.17 974 0
235.09 2270.1 0.01
236.01 1897.7 0
237.11 2948.5 0.01
238.97 9096.2 0.02
241.06 100663.6 0.24
242.18 10822.2 0.03
242.79 1649.4 0
243.35 2395.2 0.01
244.04 611.8 0
245.03 3299.6 0.01
246.23 1017 0
247.97 24795.6 0.06
249.14 6058.2 0.01
250.02 463 0
251.05 15967.7 0.04
251.87 700.2 0
253.14 317479.3 0.75
255.16 8802063 20.88
256.26 1123829 2.67
257.26 38964.8 0.09
258.84 9039.8 0.02
261.03 3739.7 0.01
263.02 4409.8 0.01
265.09 283824.4 0.67
266.15 11081.9 0.03
267.15 35344.6 0.08
269.08 44205.4 0.1
270.23 4735 0.01
271.14 9159.2 0.02
272.14 1430.5 0
273.04 5701 0.01
274.97 7249.9 0.02
277.17 231644.1 0.55
279.17 4444549 10.54
281.19 42162504 100
282.31 7163772 16.99
283.26 3642977 8.64
284.3 407671.3 0.97
285.26 29392.4 0.07
286.25 3232.9 0.01
287.17 3558.8 0.01
287.95 307.1 0
289.28 2769.9 0.01
290.04 656.7 0
291.06 26350.7 0.06
293.1 119313.7 0.28
295.17 205704.9 0.49
297.16 223979.2 0.53
299.19 663662.1 1.57
300.33 46185.7 0.11
301.23 24946.8 0.06
302.89 14065.1 0.03
304.12 1437.5 0
305.2 3997.8 0.01
306.04 1023.7 0
307.12 31406.7 0.07
309.18 552897.9 1.31
311.16 1001452 2.38
312.32 76030.9 0.18
313.26 22815.2 0.05
314.19 3448.6 0.01
315.15 11205.8 0.03
317.13 6248.8 0.01
319.06 116608.6 0.28
320.2 11950.4 0.03
321.17 16919.7 0.04
323.09 37628.1 0.09
325.11 168913 0.4
326.25 18161.5 0.04
327.22 13541.6 0.03
329.15 6081.7 0.01
330.09 828.8 0
331.08 6157.5 0.01
333.07 19566.6 0.05
335.17 248849.7 0.59
336.18 16697.4 0.04
337.11 63939.4 0.15
339.21 688353.2 1.63
340.32 115685.8 0.27
341.28 30991.5 0.07
342.32 3870.2 0.01
343.27 4436.3 0.01
345.03 9966.1 0.02
347.1 11588.7 0.03
349.13 97423.1 0.23
350.21 12485.9 0.03
351.15 22268.4 0.05
353.18 131384.5 0.31
354.32 15148.5 0.04
355.25 22575.7 0.05
356.33 1857.7 0
357.22 6404.1 0.02
358.2 794.7 0
359.38 2236.1 0.01
361.07 466851.5 1.11
362.18 39144.8 0.09
363.23 24538 0.06
364.22 17856.8 0.04
366.12 392981.4 0.93
367.28 770007.9 1.83
368.37 88028.7 0.21
369.36 13168.3 0.03
371.03 34018.6 0.08
373.09 16431.2 0.04
375.15 24708.5 0.06
377.06 697263.9 1.65
378.16 60240.6 0.14
379.21 76560.6 0.18
381.16 92499.6 0.22
382.53 8353.9 0.02
383.24 17903.7 0.04
384.4 3009.4 0.01
385.25 5353.6 0.01
387.08 13341.8 0.03
389.09 20801.7 0.05
391.17 147728.2 0.35
393.16 401763.4 0.95
394.18 28495.5 0.07
395.31 826334.4 1.96
396.46 127385.6 0.3
397.35 61155.8 0.15
398.25 7114.5 0.02
399.15 22652.4 0.05
D #2 NL 59.1 +ve Unknown D #3 NL 59.1 +ve Unknown D #1 NL 368.5 +ve

Relative m/z Intensity Relative m/z Intensity Relative

23.58 701.5 1.8 7.27 602.08 16.8 6.02


41.1 702.86 6.6 26.24 603.17 11.2 4
12.68 703.59 8.8 34.99 609.33 5 1.78
6.78 704.83 3 12 619.33 14.1 5.07
29.65 709.5 2.7 10.75 620.58 1.7 0.61
7.29 710.42 0.7 2.69 625.42 6.9 2.48
3.98 715.75 1.6 6.36 636.17 1 0.36
38.71 716.83 0.7 2.9 637.17 8.7 3.13
12.19 732.78 0.9 3.74 645.58 1.2 0.44
4.75 733.92 3.6 14.11 647.58 7.7 2.77
21.38 738.67 1.9 7.74 648.42 6 2.15
36.61 761.83 7.2 28.78 661.5 6.4 2.28
18.65 772.58 5.5 21.66 669.08 1.6 0.57
55.9 786.42 5.2 20.67 671.17 6.2 2.22
787.83 6.4 25.45 673.25 5.6 2.01
794.08 7.4 29.45 674.08 3.4 1.21
799.16 1.4 5.46 675.41 5.8 2.08
812.58 11.6 46 676.65 29.1 10.44
817 3.5 13.93 678.92 14.5 5.2
839.7 10.8 42.92 687.59 8.5 3.05
840.25 1.8 7.1 689.54 30.7 10.99
851.75 1.7 6.86 691.1 5.3 1.91
855.98 13 51.68 693.18 9.1 3.27
888.75 0.8 3.27 695.42 92.6 33.19
696.91 24.3 8.71
699.21 10.9 3.91
699.92 3.1 1.12
701.75 2.4 0.87
703.19 16.3 5.83
703.58 3.5 1.26
703.88 1.3 0.46
705.01 13.3 4.76
705.4 23.1 8.29
705.84 22 7.89
706.77 3.7 1.31
715.56 2.9 1.05
717.71 3.9 1.41
719.92 1.6 0.58
721.26 7.2 2.6
725.25 0.9 0.32
728.4 14.8 5.3
729.13 1.8 0.66
730.08 2.1 0.76
731.5 14 5.01
733.58 0.4 0.16
738.33 1.4 0.51
739.26 7.2 2.58
741.58 0.8 0.28
743.19 48.9 17.54
743.65 20.9 7.5
744.13 25.1 8.98
744.53 9.3 3.33
749.25 0.7 0.25
751.33 3.2 1.16
752.91 9.6 3.43
755.61 3.7 1.32
761.58 10.6 3.79
765.25 5.1 1.81
767.53 30.9 11.08
769.59 278.9 100
770.37 27.5 9.86
770.63 28.2 10.12
770.89 31.1 11.15
771.27 21.5 7.71
771.92 8.2 2.95
774.08 3.9 1.39
775.33 1.7 0.62
776.58 1.5 0.54
779.71 18.1 6.49
781 5.2 1.87
783.51 2.6 0.94
785.79 24.8 8.89
787.47 14.7 5.26
789.32 3 1.09
790.33 10.5 3.75
791.67 13.7 4.9
793.58 7.9 2.85
795.5 2 0.73
797.59 11.5 4.12
799.17 2.3 0.81
799.42 3.8 1.35
Unknown D #2 NL 368.5 +ve Unknown D #3 NL 368.5 +ve

m/z Intensity Relative m/z Intensity Relative

615.5 6 5.9 610.3 3.6 1.72


617.67 0.9 0.9 615.42 6.7 3.2
620.76 7.8 7.6 647.55 10.4 4.92
629.33 2.5 2.43 649.67 3.6 1.7
633.08 2.4 2.34 655.3 41 19.47
642.67 2.6 2.53 661.57 0.6 0.29
644.5 4.4 4.35 664.33 9.2 4.37
647.29 20.7 20.27 670.83 12.2 5.8
649.83 0.8 0.74 672.08 3.4 1.62
651.67 4.8 4.75 673.61 20.3 9.64
655.33 4.2 4.07 679.75 6 2.86
659.08 1.8 1.77 687.65 2.8 1.33
661.3 13.1 12.85 687.92 3.9 1.84
669.26 10.3 10.14 689.59 22.5 10.68
671.17 16.8 16.51 691.35 11.4 5.43
675.58 2 2.01 693.75 4.5 2.13
686.99 5 4.91 695.5 79.7 37.85
687.78 7.4 7.25 699.59 11.4 5.41
689.25 11.4 11.14 701.19 12.5 5.96
690.33 7.4 7.26 702.85 34.5 16.39
691.25 1.2 1.14 703.45 6 2.85
693.79 0.4 0.39 704 4.2 1.98
695.46 28.4 27.8 705.66 12.4 5.89
696.45 1 1.01 706.67 5.7 2.69
697.44 28 27.48 707.66 17.6 8.36
703.4 3.7 3.61 708.42 10.2 4.86
704.5 18.2 17.83 709.58 9.2 4.39
705.57 25.3 24.78 711.5 16.9 8.04
707.44 11.8 11.58 715.29 1.5 0.73
707.75 10.6 10.4 717.5 5.8 2.74
709.75 3.5 3.47 718.92 3.3 1.55
711.67 16 15.7 725.93 5.1 2.43
717.42 6.3 6.19 726.92 21.4 10.14
718.75 1.7 1.64 729.33 4.3 2.06
719.67 3.9 3.79 730.67 2.6 1.22
723.92 19.8 19.44 736.33 10.3 4.87
729.5 2.4 2.38 741.25 6.4 3.05
730.5 3.1 3.04 743.63 63 29.92
731.42 2.8 2.78 744.61 21.1 10
735.43 11 10.79 749.01 8.6 4.1
736.03 0.6 0.59 753.19 28.5 13.53
743.17 26.2 25.65 754.33 9.9 4.69
743.82 22.9 22.42 757.23 12 5.71
744.17 19.8 19.38 761.25 0.8 0.4
748.58 8.6 8.46 763 11.3 5.39
753.5 18.6 18.19 767.41 28.2 13.39
754.25 5.1 4.96 767.96 15.9 7.53
757.58 2.2 2.18 769.8 210.6 100
760.5 2.4 2.32 770.71 12.6 6
761.64 31.4 30.74 771.03 19.3 9.17
762.83 6.4 6.24 771.47 22.2 10.53
765.33 0.6 0.61 771.86 20.9 9.94
767.14 31.1 30.47 772.3 13.4 6.35
767.7 3.6 3.5 772.58 16.5 7.83
768 4.1 3.97 773.58 0.4 0.19
769.63 72 70.58 775.25 4.2 1.99
770.69 81.2 79.63 776.33 5.2 2.49
771.75 22.4 21.96 781.5 20.3 9.62
772.54 1.1 1.12 783.5 2.7 1.29
780.92 13.7 13.44 785.44 9.5 4.5
783.17 1.7 1.62 785.88 3 1.41
785.91 13.5 13.21 786.33 4 1.88
787.57 16.7 16.37 786.58 6.6 3.13
787.92 6.1 6.02 791.71 10.2 4.85
789.68 11 10.79 797.25 3 1.41
791.02 16.1 15.77 798.25 5.7 2.72
791.5 8.5 8.33 799.25 4.7 2.23
797.67 3.2 3.12
799.24 6.9 6.73
799.91 23.7 23.24

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