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Common Background Contamination Ions in Mass Spectrometry

The document discusses common background contamination ions that are often observed in mass spectrometry. It provides tables listing the accurate mass of potential contaminant ions from sources like organic solvents, polyethylene glycol, polypropylene glycol, and other compounds. The tables aim to help users troubleshoot potential contamination in their liquid chromatography-mass spectrometry systems.

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Eric Yiu
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100% found this document useful (1 vote)
215 views

Common Background Contamination Ions in Mass Spectrometry

The document discusses common background contamination ions that are often observed in mass spectrometry. It provides tables listing the accurate mass of potential contaminant ions from sources like organic solvents, polyethylene glycol, polypropylene glycol, and other compounds. The tables aim to help users troubleshoot potential contamination in their liquid chromatography-mass spectrometry systems.

Uploaded by

Eric Yiu
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Common Background Contamination Ions in Mass Spectrometry

Common background contamination ions encountered in mass spectrometers are polyethylene glycol, polypropylene glycol, phthalates, organic
solvent clusters, solvent modifiers, fatty acids, metal ions, tritons, tweens and siloxanes. Metal ions form adducts with varying numbers of
substrates to give characteristic ESI+ ions. In this poster, the accurate mass of elements, organic solvents and all potential contaminant ions
observed in mass spectrometry are listed in the tables below to help troubleshoot potential contamination in LC-MS systems.

Table 1. Accurate Mass of Organic Solvents Table 4. Common Observed and Predicted Background Ions in ESI Positive Mode Table 5. Common Background Ions in ESI Negative Mode

Solvents Formula Accurate Mass Compounds or Species Formula [M+H]+ [M+NH4]+ [M+Na]+ [M+K]+ Compounds and Species Ions Mass of ions
Acetic acid C2H4O2 60.0211 CH3OH 33.0335 50.0600 55.0154 70.9894 Fragment from acetonitrile CN- 26.0036
Acetone C3H6O 58.0419 Methanol clusters (CH3OH)2 65.0597 82.0863 87.0417 103.0156 Formic acid HCOO- 44.9982
Acetonitrile C2H3N 41.0265 (CH3OH)3 97.0859 114.1125 119.0679 135.0418 Acetic acid CH3SO3- 59.0139
Benzene C6H6 78.0470 CH3CN 42.0338 59.0604 64.0158 79.9897 Phosphoric acid, and oligonucleotides or phosphopeptides PO3- 78.9591
Butanone (2-) C4H8O 72.0575 Acetonitrile clusters (CH3CN)2 83.0604 100.0869 105.0423 121.0163 Sulfuric acid and other sulfated materials SO3- 79.9574
Carbon disulfide CS2 75.9441 (CH3CN)3 124.0869 141.1135 146.0689 162.0428 Methanesulfuric acid CH3SO3- 94.9808
Chloroform CHCl3 117.9144 (CH3OH)(H2O) 51.0446 68.0712 73.0265 89.0005 Sulfuric acid HSO4- 96.9601
Dichloromethane CH2Cl2 83.9534 MeOH + H2O clusters (CH3OH)2(H2O)2 101.0808 118.1074 123.0628 139.0367 Phosphoric acid, and oligonucleotides or phosphopeptides H2PO4- 96.9696
Diethyl ether C4H10O 74.0732 (CH3OH)3(H2O)2 133.1071 150.1336 155.0890 171.0629 Trifluoroacetic acid, TFA CF3COO- 112.9856
Diisopropyl ether C6H14O 102.1045 (CH3CN)(CH3OH) 74.0600 91.0866 96.0420 112.0159 Formic acid dimer sodiated anion [(HCOOH)2+Na-2H]- 112.9856
Acetonitrile + Methanol clusters
Dimethylformamide C3H7NO 73.0528 (CH3CN)2(CH3OH)2 147.1128 164.1394 169.0947 185.0687 Iodine anion (Iodide) I- 126.9050
Dimethyl sulfoxide C2H6OS 78.0139 Dimethylformamide C3H7NO 74.0600 91.0866 96.0420 112.0159 Pentafluoropropionic acid CF3CF2COO- 162.9824
Ethanol C2H6O 46.0419 C2H6OS 79.0212 96.0478 101.0032 116.9771 n-Butyl benzenesulfonamide C10H14NO2S- 212.0751
Ethyl acetate C4H8O2 88.0524 DMSO (C2H6OS)2 157.0351 174.0617 179.0171 194.9910 Trifluoroacetic acid dimer CF3COOHCF3COO- 226.9785
Formic acid CH2O2 46.0055 (C2H6OS)3 235.0491 252.0756 257.0310 273.0050 Trifluoroacetic acid dimer sodiated anion [(CF3COOH)2+Na-2H]- 248.9604
Glycerol C3H8O3 92.0473 Acetonitrile/Formic acid (CH3CN)(HCOOH) 88.0393 105.0659 110.0212 125.9952
Hexane C6H14 86.1096 Acetonitrile/Acetic acid (CH3CN)(CH3COOH) 102.0550 119.0815 124.0369 140.0108 Table 6. Potential Contaminant Ions from Polyethylene Glycol, H(OCH2CH2)nOH and Polypropylene Glycol,
H(OCH2CH2CH2)nOH in ESI Positive Mode
Isopropanol C3H8O 60.0575 Acetonitrile/Dimethylformamide (CH3CN)(C3H7NO) 115.0866 132.1131 137.0685 153.0425
Methanol CH4O 32.0262 DMSO+MeCN clusters [C2H6OS+CH3CN] 120.0478 137.0743 142.0297 158.0036
Polyethylene Glycol Polypropylene Glycol
Propanol C3H8O 60.0575 Sodium formate CH2O2Na 90.9766
Pyridine C5H5N 79.0422 Sodium acetate C2H3O2Na 104.9923 Repeating Units [M+H]+ [M+Na]+ [M+K]+ [M+H]+ [M+Na]+ [M+K]+
Tetrachlorocarbon CCl4 151.8754 (N-Methyl-2-pyrrolidone) C5H10NO 100.0757 117.1022 122.0576 138.0316 1 63.0441 85.026 100.9999 77.0597 99.0417 115.0156
Tetrachloroethylene C2Cl4 163.8754 Triethylamine (TEA) C6H15N 102.1277 119.1543 124.1097 140.0836 2 107.0703 129.0522 145.0261 135.1016 157.0835 173.0575
Tetrahydrofuran C4H8O 72.0575 TRIS C4H11NO3 122.0812 139.1077 144.0631 160.0371 3 151.0965 173.0784 189.0523 193.1434 215.1254 231.0993
Toluene C7H8 92.0626 Dimethylaminopyridine C7H10N2 123.0917 140.1182 145.0736 161.0476 4 195.1227 217.1046 233.0785 251.1853 273.1672 289.1412
Trichloroethylene C2HCl3 129.9144 Diisopropylethylamine C8H19N 130.1590 147.1856 152.1410 168.1149 5 239.1490 261.1309 277.1048 309.2272 331.2091 347.1830
Trifluoroacetic acid C2F3O2H 113.9929 Tripropylamine C9H21N 144.1747 161.2012 166.1566 182.1306 6 283.1752 305.1571 321.1310 367.2690 389.2510 405.2249
Triethylamine C6H15N 101.1204 Phthalic anhydride C8H4O3 149.0233 166.0499 171.0053 186.9792 7 327.2014 349.1833 365.1572 425.3109 447.2928 463.2668
Tripropylamine C9H21N 143.1674 Phenyldiethylamine C10H15N 150.1277 167.1543 172.1097 188.0836 8 371.2276 393.2095 409.1834 483.3528 505.3347 521.3086
Xylene C8H10 106.0783 1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU) C9H16N2 153.1386 170.1652 175.1206 191.0945 9 415.2538 437.2357 453.2096 541.3946 563.3766 579.3505
Water H2O 18.0106 NaTFA C2F3O2Na 158.9640 10 459.2800 481.2619 497.2358 599.4365 621.4184 637.3924
C8H18O3 163.1329 180.1594 185.1148 201.0888 11 503.3062 525.2881 541.2620 657.4784 679.4603 695.4342
Diethylene glycol monobutyl ether
Table 2. Accurate Mass of Proton, Electron (C8H18O3)2 325.2585 342.2850 347.2404 363.2143 12 547.3325 569.3144 585.2883 715.5202 737.5022 753.4761
and Selected Elements -Cyano-4-hydroxycinnamic acid (4-HCCA)-H2O C8H5NO3 172.0393 189.0659 194.0212 209.9952 13 591.3587 613.3406 629.3145 773.5621 795.5440 811.5180
C10H7NO3 190.0499 207.0764 212.0318 228.0058 14 635.3849 657.3668 673.3407 831.6039 853.5859 869.5598
Element Abbreviation Atomic Masses
-Cyano-4-hydroxycinnamic acid (4-HCCA) (C10H7NO3)2 379.0925 396.1190 401.0744 417.0483 15 679.4111 701.3930 717.3669 889.6458 911.6278 927.6017
Electron e- 0.000549
(C10H7NO3)3 568.1351 585.1616 590.1170 606.0909 16 723.4373 745.4192 761.3931 947.6877 969.6696 985.6436
Proton H+ 1.007276
Butylated hydroxyanisole C11H16O2 181.1223 198.1489 203.1043 219.0782 17 767.4635 789.4454 805.4193 1005.7295 1027.7115 1043.6854
Carbon-12 C-12 12.000000
Diphenyl ketone C13H10O 183.0804 200.1070 205.0624 221.0363 18 811.4897 833.4716 849.4455 1063.7714 1085.7534 1101.7273
Carbon-13 C-13 13.003355
Glycol ether C8H18O3 185.1148 202.1414 207.0968 223.0707 19 855.5160 877.4979 893.4718 1121.8133 1143.7952 1159.7692
Hydrogen H 1.007825
Tributylamine C12H27N 186.2216 203.2482 208.2036 224.1775 20 899.5422 921.5241 937.4980 1179.8551 1201.8371 1217.8110
Deuterium D 2.014101
n-Butyl benzenesulfonamide C10H15NO2S 214.0896 231.1162 236.0716 252.0455
Oxygen O 15.994915
Butylated hydroxytoluene C15H24O 221.1900 238.2165 243.1719 259.1459 Table 7. Potential Contaminant Ions from Phthalates in ESI Positive Mode, Some Phthalates Form Dimer Ions.
Oxygen-18 O-18 17.999160
C13H24N2O 225.1961 242.2227 247.1781 263.1520
Nitrogen-14 N-14 14.003074 N,N'-Dicyclohexylurea
(C13H24N2O)2 449.3850 466.4116 471.3669 487.3409
Nitrogen-15 N-15 15.000109 Compounds and Species Formula [M+H]+ [M+NH4]+ [M+Na]+ [M+K]+
TEA.HCl35 C6H15N.HCl 239.2249 256.2514 261.2068 277.1807
Sulfur-32 S-32 31.972071 Dimethyl phthalate (DMP) C10H10O4 195.0652 212.0917 217.0471 233.0211
TEA.HCl37 C6H15N.HCl 241.2219 258.2485 263.2038 279.1778
Sulfur-34 S-34 33.967867 Diethyl phthalate (DEP) C12H14O4 223.0965 240.1230 245.0784 261.0524
Tetrabutylammonium C16H36N 242.2842
Phosphorus P 30.973762 Diallyl phthalate (DAP) C14H14O4 247.0965 264.1230 269.0784 285.0524
Tributylphosphate C12H27O4P 267.1720 284.1985 289.1539 305.1279
Silicon Si 27.976927 Di-n-propyl phthalate (DPP) C14H18O4 251.1278 268.1543 273.1097 289.0837
Monomethoxytrityl cation C20H17O 273.1274
Sodium Na 22.989769 Di-n-butyl phthalate (DBP) C16H22O4 279.1591 296.1856 301.1410 317.1150
Triphenylphosphine oxide C18H15OP 279.0933 296.1199 301.0753 317.0492
Potassium K 38.963706 Diisobutyl phthalate (DIBP) C16H22O4 279.1591 296.1856 301.1410 317.1150
Oleamide C18H35NO 282.2791 299.3057 304.2611 320.2350
Chlorine-35 Cl-35 34.968853 Butyl cyclohexyl phthalate (BCP) C18H24O4 305.1747 322.2012 327.1566 343.1306
Stearamide C18H37NO 284.2948 301.3213 306.2767 322.2507
Chlorine-37 Cl-37 36.965903 Di-n-pentyl phthalate (DNPP) C18H26O4 307.1904 324.2169 329.1723 345.1463
n,n-bis(2-hydroxyethyl) dodecanamide C16H33NO3 288.2533 305.2799 310.2353 326.2092
Bromine-79 Br-79 78.918337 Dicyclohexyl phthalate (DCP) C20H26O4 331.1904 348.2169 353.1723 369.1463
Oleamide C18H35NO 304.2611 321.2876 326.2430 342.2170
Bromine-81 Br-81 80.916291 Butyl benzyl phthalate (BBP) C19H20O4 313.1434 330.1699 335.1253 351.0993
Dibutyl sebacate C18H34O4 315.2530 332.2795 337.2349 353.2089
Iodine I 126.904473 Di-n-hexyl phthalate (DNHP) C20H30O4 335.2217 352.2482 357.2036 373.1776
Diethylene glycol monobutyl ether C8H18O3 325.2585 342.2850 347.2404 363.2143
Fluorine F 18.998403 Diisohexyl phthalate (DIHxP) C20H30O4 335.2217 352.2482 357.2036 373.1776
Triphenyl phosphate C18H15O4P 327.0781 344.1046 349.0600 365.0340
Iron-54 Fe-54 53.939611 Diisoheptyl phthalate (DIHpP) C22H34O4 363.2530 380.2795 385.2349 401.2089
Tributyl tin formate C13H28O2Sn 337.1184 354.1450 359.1003 375.0743
Iron-56 Fe-56 55.934938 Butyl decyl phthalate (BDP) C22H34O4 363.2530 380.2795 385.2349 401.2089
Erucamide C22H43NO 338.3417 355.3683 360.3237 376.2976
Lithium-6 Li-6 6.015123 Di(2-ethylhexyl) phthalate (DEHP) C24H38O4 391.2843 408.3108 413.2662 429.2402
Palmitamidopropyl-trimonium chloride C22H47N2OCl 355.3683 372.3948 377.3502 393.3242
Lithium-7 Li-7 7.016005 Di(n-octyl) phthalate (DNOP) C24H38O4 391.2843 408.3108 413.2662 429.2402
Behentrimonium chloride (BTAC-228) C25H54NCl 368.4251
Boron-10 B-10 10.012937 Diisooctyl phthalate (DIOP) C24H38O4 391.2843 408.3108 413.2662 429.2402
Bis(2-ethylhexyl) adipate C22H42O4 371.3156 388.3421 393.2975 409.2715
Boron-11 B-11 11.009305 n-Octyl n-decyl phthalate (ODP) C26H42O4 419.3156 436.3421 441.2975 457.2715
Dioctyl adipate C22H42O4 371.3156 388.3421 393.2975 409.2715
Copper-63 Cu-63 62.929601 Diisononyl phthalate (DINP) C26H42O4 419.3156 436.3421 441.2975 457.2715
Dipalmityldimethylammonium chloride C34H72NCl 494.5659
Copper-65 Cu-65 64.927794 Diisodecyl phthalate ( DIDP) C28H46O4 447.3469 464.3734 469.3288 485.3028
Didodecyl 3,3 -thiodipropionate C30H58O4S 515.4129 532.4394 537.3948 553.3687
Silver-107 Ag-107 106.905094 Diundecyl phthalate ( DUP) C30H50O4 475.3782 492.4047 497.3601 513.3341
Stearyl-palmityldimethylammonium chloride C36H76NCl 522.5972
Silver-109 Ag-109 108.904756 Diisoundecyl phthalate( DIUP) C30H50O4 475.3782 492.4047 497.3601 513.3341
Didodecyl 3,3 -thiodipropionate oxidized to sulfoxide C30H58O5S 531.4078 548.4343 553.3897 569.3637
Tin-120 Sn-120 119.902199 Ditridecyl phthalate (DTDP) C34H58O4 531.4408 548.4673 553.4227 569.3967
Irganox C35H62O3 531.4772 548.5037 553.4591 569.4331
Cesium Cs-133 132.905450 Diisotridecyl phthalate (DITP) C34H58O4 531.4408 548.4673 553.4227 569.3967
Acetic acid-Fe-O- complex [C2H4O2)6-6H+3Fe+O] 537.8790 554.9056 559.8610 575.8349
Didodecyl 3,3 -thiodipropionate oxidized to sulfone C30H58O6S 547.4027 564.4292 569.3846 585.3586
Table 3. Common Adduct Ions in ESI Positive Distearyldimethylammonium chloride C38H80NCl 550.6285
Mode Acetic acid-Fe-O- complex [(C2H4O2)6-6H+H2O+3Fe+O] 555.8896
Solvents Accurate Mass Acetic acid-Fe-O- complex [(C2H4O2)7-6H+3Fe+O] 597.9001
(M+H) +
M+1.007276 3-[(3-Cholamidopropyl)dimethylammonio] C32H58N2O7S 615.4038 632.4303 637.3857 653.3596
(M+NH4)+ M+18.03383 -1-propanesulfonate
M+Na)+ M+22.98977 Propionic acid Fe-O complex [(C3H6O2)6-6H+3Fe+O] 621.9729
(M+K)+ M+38.96371 C24H44N4O4 453.3435 470.3701 475.3255 491.2994
(M+CH3OH+H)+ M+33.03349 Nylon C36H66N6O6 679.5117 696.5382 701.4936 717.4675
(M+ACN+H)+ M+42.03383 C48H88N8O8 905.6798 922.7063 927.6617 943.6357
(M+ACN+Na)+ M+64.01632
(M+DMSO+H)+ M+79.02118
(M+2ACN+H)+ M+83.06037

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Common Background Contamination Ions in Mass Spectrometry
Table 8. Potential Contaminant Ions from X-100, Triton X-114, Triton X-405, Triton X-45 C14H22O(C2 H4O)n and Table 10. Potential Contaminant Ions from Polysiloxane, (C2 H 6 SiO)n Table 12. Potential Contaminant Ions from Fatty Acids in ESI Negative Mode
Their Reduced Forms C14H28O(C2 H4O)n in ESI Positive Mode

Triton Reduced Form of Triton Repeating Units [M+H-CH4]+ [M+H]+ [M+NH4]+ Compounds and Species Structural Formula Lipid Numbers (M-H)-
Repeating Units [M+H]+ [M+Na]+ [M+K]+ [M+H]+ [M+Na]+ [M+K]+ 1 58.9947 75.0260 92.0526 Decanoic acid C10H20O2 C10:0 171.1391
2 133.0135 149.0448 166.0714 Undecanoic acid C11H22O2 C11:0 185.1547
1 251.2006 273.1825 289.1565 257.2476 279.2295 295.2034
3 207.0323 223.0636 240.0902 Dodecanoic acid C12H24O2 C12:0 199.1704
2 295.2268 317.2087 333.1827 301.2738 323.2557 339.2296
4 281.0511 297.0824 314.1090 Tridecanoic acid C13H26O2 C13:0 213.1860
3 339.2530 361.2349 377.2089 345.3000 367.2819 383.2558
5 355.0699 371.1012 388.1278 Tetradecanoic acid C14H28O2 C14:0 227.2017
4 383.2792 405.2611 421.2351 389.3262 411.3081 427.2820
6 429.0887 445.1200 462.1466 Pentadecanoic acid C15H30O2 C15:0 241.2173
5 427.3054 449.2873 465.2613 433.3524 455.3343 471.3082
7 503.1075 519.1388 536.1654 Tetradecanoic acid C16H32O2 C16:0 255.2330
6 471.3316 493.3135 509.2875 477.3786 499.3605 515.3344
8 577.1263 593.1576 610.1842 Heptadecanoic acid C17H34O2 C17:0 269.2486
7 515.3578 537.3397 553.3137 521.4048 543.3867 559.3606
9 651.1451 667.1764 684.2030 Octadecanoic acid C18H36O2 C18:0 283.2643
8 559.3840 581.3659 597.3399 565.4310 587.4129 603.3868
10 725.1639 741.1952 758.2217 Nonadecanoic acid C19H38O2 C19:0 297.2799
9 603.4102 625.3921 641.3661 609.4572 631.4391 647.4130
11 799.1827 815.2140 832.2405 Eicosanoic acid C20H40O2 C20:0 311.2956
10 647.4364 669.4183 685.3923 653.4834 675.4653 691.4392
12 873.2015 889.2328 906.2593 Heneicosanoic acid C21H42O2 C21:0 325.3112
11 691.4626 713.4445 729.4185 697.5096 719.4915 735.4654
13 947.2203 963.2516 980.2781 Docosanoic acid C22H44O2 C22:0 339.3269
12 735.4888 757.4707 773.4447 741.5358 763.5177 779.4916
14 1021.2391 1037.2704 1054.2969 Tricosanoic acid C23H46O2 C23:0 353.3425
13 779.5150 801.4969 817.4709 785.5620 807.5439 823.5178
15 1095.2579 1111.2892 1128.3157 Tetracosanoic acid C24H48O2 C24:0 367.3582
14 823.5412 845.5231 861.4971 829.5882 851.5701 867.5440
16 1169.2766 1185.3079 1202.3345 Caproleic acid C10H18O2 C10:1 169.1234
15 867.5674 889.5493 905.5233 873.6144 895.5963 911.5702
17 1243.2954 1259.3267 1276.3533 Lauroleic acid C12H22O2 C12:1 197.1547
16 911.5936 933.5755 949.5495 917.6406 939.6225 955.5964
18 1317.3142 1333.3455 1350.3721 Myristoleic acid C14H26O2 C14:1 225.1860
17 955.6198 977.6017 993.5757 961.6668 983.6487 999.6226
19 1391.3330 1407.3643 1424.3909 Palmitoleic acid C16H30O2 C16:1 253.2173
18 999.6460 1021.6279 1037.6019 1005.6930 1027.6749 1043.6488
20 1465.3518 1481.3831 1498.4097 Oleic acid C18H34O2 C18:1 281.2486
19 1043.6722 1065.6541 1081.6281 1049.7192 1071.7011 1087.6750
Gadoleic acid C20H38O2 C20:1 309.2799
20 1087.6984 1109.6803 1125.6543 1093.7454 1115.7273 1131.7012
Erucic acid C22H42O2 C22:1 337.3112
Table 11. Potential Sodium Ions of Tween 20 [C18 H 34O 6][C2 H4O]n Nervonic acid C24H46O2 C24:1 365.3425
Table 9. Potential Contaminant Ions from Triton X-101, C15 H24O(C2 H4O)n and Triton X-101R, Tween 40 [C22 H42O 6][C2 H4O]n Tween 60 [C24H46 O 6][C2 H4O]n and Tween 80 Linoleic acid (LA) C18H32O2 C18:2 279.2330
C15 H 30 O(C2 H4O)n in ESI Positive Mode [C24H44O 6][C2 H4O]n in ESI Positive Mode.
Linolenic acid (ALA) C18H30O2 C18:3 277.2173
Triton Reduced Form of Triton Tween 20 Tween 40 Tween 60 Tween 80 Stearidonic acid C18H28O2 C18:4 275.2017
Mead acid C20H34O2 C20:3 305.2486
Repeating Units [M+H] +
[M+Na] +
[M+K] +
[M+H] +
[M+Na] +
[M+K] +
Repeating Units [M+Na] +
[M+Na] +
[M+Na] +
[M+Na]+ Arachidonic acid C20H32O2 C20:4 303.2330
1 265.2163 287.1982 303.1721 271.2632 293.2451 309.2191 10 809.4869 865.5495 893.5808 891.5652 Eicosapentaenoic acid (EPA) C20H30O2 C20:5 301.2173
2 309.2425 331.2244 347.1983 315.2894 337.2713 353.2453 11 853.5131 909.5757 937.6070 935.5914 Docosapentaenoic acid (DPA) C22H34O2 C22:5 329.2486
3 353.2687 375.2506 391.2245 359.3156 381.2975 397.2715 12 897.5393 953.6019 981.6332 979.6176 Docosahexaenoic acid (DHA) C22H32O2 C22:6 327.2330
4 397.2949 419.2768 435.2507 403.3418 425.3237 441.2977 13 941.5656 997.6282 1025.6595 1023.6438
5 441.3211 463.3030 479.2769 447.3680 469.3499 485.3239 14 985.5918 1041.6544 1069.6857 1067.6700
6 485.3473 507.3292 523.3031 491.3942 513.3761 529.3501 15 1029.6180 1085.6806 1113.7119 1111.6962
7 529.3735 551.3554 567.3293 535.4204 557.4023 573.3763 16 1073.6442 1129.7068 1157.7381 1155.7225
8 573.3997 595.3816 611.3555 579.4466 601.4285 617.4025 17 1117.6704 1173.7330 1201.7643 1199.7487
9 617.4259 639.4078 655.3817 623.4728 645.4547 661.4287 18 1161.6966 1217.7592 1245.7905 1243.7749
10 661.4521 683.4340 699.4079 667.4990 689.4809 705.4549 19 1205.7228 1261.7854 1289.8167 1287.8011
11 705.4783 727.4602 743.4341 711.5252 733.5071 749.4811 20 1249.7491 1305.8117 1333.8430 1331.8273
12 749.5045 771.4864 787.4603 755.5514 777.5333 793.5073 21 1293.7753 1349.8379 1377.8692 1375.8535
13 793.5307 815.5126 831.4865 799.5776 821.5595 837.5335 22 1337.8015 1393.8641 1421.8954 1419.8797
14 837.5569 859.5388 875.5127 843.6038 865.5857 881.5597 23 1381.8277 1437.8903 1465.9216 1463.9060
15 881.5831 903.5650 919.5389 887.6300 909.6119 925.5859 24 1425.8539 1481.9165 1509.9478 1507.9322
16 925.6093 947.5912 963.5651 931.6562 953.6381 969.6121 25 1469.8801 1525.9427 1553.9740 1551.9584
17 969.6355 991.6174 1007.5913 975.6824 997.6643 1013.6383 26 1513.9064 1569.9690 1598.0003 1595.9846
18 1013.6617 1035.6436 1051.6175 1019.7086 1041.6905 1057.6645 27 1557.9326 1613.9952 1642.0265 1640.0108
19 1057.6879 1079.6698 1095.6437 1063.7348 1085.7167 1101.6907 28 1601.9588 1658.0214 1686.0527 1684.0370
20 1101.7141 1123.6960 1139.6699 1107.7610 1129.7429 1145.7169 29 1645.9850 1702.0476 1730.0789 1728.0632
30 1690.0112 1746.0738 1774.1051 1772.0895
31 1734.0374 1790.1000 1818.1313 1816.1157
32 1778.0636 1834.1262 1862.1575 1860.1419

Figure 2. Chromatogram and Spectrum of Potential Fatty Acid


Figure 1. Typical Chromatogram and Spectrum Profile of Blank Sample With Water and Methanol Contamination in Blank Methanol Acquired in ESI Negative Mode Figure 3. Potential Contaminant Ions in Organic Solvents Detected by Q Exactive Plus
Gradient Acquired by Q Exactive Focus Orbitrap MS in ESI Positive Mode Using Triple Quadruple Mass Spectrometry Orbitrap Mass Spectrometer in ESI Positive Mode

References
1. Keller, B. O.; Sui, J; Young A. B.; Whittal, R. M. Interferences and contaminants encountered in modern mass spectrometry. Analytica Chimica Acta 627 (2008) 71-81
2. Tong, H.; Bell, D.; Tabei, K.; Siegel, M.M. Automated Data Massaging, Interpretation, and E-Mailing Modules for High Throughput Open Access Mass Spectrometry. J. Am. Soc. Mass Spectrom. 10 (1999) 1174
3. http://www.newobjective.com/downloads/technotes/PV-3.pdf
4. https://www.fishersci.com/us/en/products.html
5. Mahn, B. Thermo Fisher Scientific technical support
6. Guo, X.; Bruins, A. P.; Covey, T. R. Characterization of typical chemical background interferences in atmospheric pressure ionization liquid chromatography-mass spectrometry. Rapid Commun. Mass Spectrom. 20 (2006) 3145–3150
7. http://www.proteomicsresource.washington.edu/protocols05/esi_background_ions_repeat_units.php
8. http://www.waters.com/webassets/cms/support/docs/bkgrnd_ion_mstr_list.pdf
9. John C.; Tran J. C.; Doucette A. A. Cyclic Polyamide Oligomers Extracted from Nylon 66 Membrane Filter Disks as a Source of Contamination in Liquid Chromatography/Mass Spectrometry. J Am Soc. Mass Spectrom. 17 (2006), 652– 656

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