Common Background Contaminant Ions and Adducts

LCMS-IT-TOF tool set for identifying interferences/contaminants
Supplementary Data:
Keller, B.O.; Sui, J.; Young, A.B.; Whittal, R.M. Interferences and contaminants encountered in modern mass spectrometry.
Analytica Chimica Acta (Review/tutorial, Special Issue on Mass Spectrometry), 2008.
List of potential interference- or contaminant ions in modern mass spectrometry, positive mode
Monoisotopic ion mass

(singly charged)
Ion type
Formula for M or subunit or sequence
33.03349
[M+H]+
CH3OH
42.03383
CH3CN
59.06037
[M+H]+
[M+NH4]+
63.04406
[A1B+H]
[C2H4O]nH2O
64.01577
[M+Na]+
[M2+H]+
65.05971
74.06004
CH3CN
CH3CN
CH3OH
C3H7NO
74.06004
[M+H]+
[A1B1+H]+
(CH3CN)n(CH3OH)m
77.05971
[A1B+H]
[C3H6O]nH2O
79.02121
C2H6OS
83.06037
[M+H]+
[M2+H]+
85.02600
[A1B+Na]+
[C2H4O]nH2O
85.05887
C2D6OS
88.03931
[M+H]+
[A1B1+H]+
(CH3CN)n(HCOOH)m
96.04198
[A1B1+Na]
(CH3CN)n(CH3OH)m
99.04165
[A1B+Na]
100.07569
100.99994
[M+H]+
[A1B+K]+
[C2H4O]nH2O
101.00316
[M+Na]+
C2H6OS
CH3CN
[C3H6O]nH2O
C5H10NO
101.08084
[A2B2+H]+
[MeOH]n[H2O]m
102.05496
[A1B1+H]+
(CH3CN)n(CH3COOH)m
102.12773
[M+H]+
C6H15N
103.95560
[M+63Cu]+
C2 H 3 N
104.99229
[M+Na]+
[M2+Na]+
C2H3O2Na
C2 H 3 N
107.07027
[M+65Cu]+
[A2B+H]+
[C2H4O]nH2O
115.01559
[A1B+K]
[C3H6O]nH2O
115.08659
[A1B1+H]
120.04776
[M+CH3CN+H]
122.08117
[M+H]+
[A2B2+Na]+
105.04232
105.95379
123.06278
123.09167
C2 H 3 N
(CH3CN)n(C3H7NO)m
C2H6OS
C4H11NO3
[MeOH]n[H2O]m
C7H10N2
124.03690
[M+H]+
[A1B1+Na]+
(CH3CN)n(CH3COOH)m
129.05222
[A2B+Na]
[C2H4O]nH2O
130.15903
132.90490
133.10705
[M+H]+
M+
[A3B2+H]+
135.10157
[A2B+H]+
137.07431
[M+CH3CN+NH4]
142.02971
[M+CH3CN+Na]
144.17468
C9H21N
144.98215
[M+H]+
[M2+63Cu]+
145.02615
[A2B+K]
[C2H4O]nH2O
C8H19N
Cs
[MeOH]n[H2O]m
[C3H6O]nH2O
+
C2H6OS
C2H6OS
CH3CN
146.06887
[M3+Na]
CH3CN
146.98034
[M2+ Cu]
CH3CN
147.11280
[A2B2+H]+
(CH3CN)n(CH3OH)m
149.02332
[f+H]
C8 H 4 O 3
150.12773
[M+H]+
65
C10H15N
151.09649
[A3B+H]+
[C2H4O]nH2O
153.13862
C9H16N2
155.08900
[M+H]+
[A3B2+Na]+
[MeOH]n[H2O]m
157.03515
[M2+H]
C2H6OS
157.08352
[A2B+Na]
158.96403
[M+Na]+
[M-CH3OH+H]+
C2F3O2Na
C8H18O3
169.09475
[M+H]
[A2B2+Na]+
(CH3CN)n(CH3OH)m
169.11046
[M2+H]
C2D6OS
171.00527
172.03931
[f+Na]+
[M-H2O+H]+
C10H7NO3
173.05745
[A2B+K]
[C3H6O]nH2O
173.07843
[A3B+Na]
[C2H4O]nH2O
179.01709
[M2+Na]
181.12231
[M+H]+
C11H16O2
183.08044
C13H10O
183.14383
[M+H]+
[A4B3+H]+
[MeOH]n[H2O]m
185.11482
[M+Na]+
C8H18O3
186.22163
[M+H]+
[A3B+K]+
C12H27N
163.03897
163.13287
189.05237
190.04987
193.14344
195.06519
195.12270
203.10425
+
+
[M+H]+
[A3B+H]+
[M+H]+
[A4B+H]+
[C3H6O]nH2O
C10H10O4
C8 H 4 O 3
C2H6OS
[C2H4O]nH2O
C10H7NO3
[C3H6O]nH2O
C10H10O4
[C2H4O]nH2O
C11H16O2
205.12578
[M+Na]+
[A4B3+Na]+
[MeOH]n[H2O]m
212.03181
[M+Na]+
C10H7NO3
214.08963
[M+H]+
[A3B+Na]+
C10H15NO2S
215.12538
[C3H6O]nH2O
217.10465
[A4B+Na]+
[C2H4O]nH2O
221.18999
[M+H]+
C15H24O
225.19614
[M+H]+
C13H24N2O
228.00575
C10H7NO3
231.09932
[M+K]+
[A3B+K]+
[C3H6O]nH2O
231.11618
[M+NH4]
C10H15NO2S
233.07858
[A4B+K]+
[C2H4O]nH2O
236.07157
C10H15NO2S
239.14892
[M+Na]
[A5B+H]+
239.22485
[C2H4O]nH2O
[(M.H Cl)2-Cl]
C6H15N
241.22190
[(M.H Cl)2-Cl]
C6H15N
242.28423
M+
C16H36N
243.11683
C19H15
243.17194
251.18530
[M+Na]+
[A4B+H]+
[C3H6O]nH2O
251.20056
[AB1+H]
[C14H22O][C2H4O]n
257.03103
[M3+Na]+
C2H6OS
261.13086
[A5B+Na]
[C2H4O]nH2O
265.21621
[AB1+H]
267.17197
[M+H]+
C12H27O4P
273.12739
C20H17O
273.16725
M+
[A4B+Na]+
[C3H6O]nH2O
273.18250
[AB1+Na]+
[C14H22O][C2H4O]n
277.10480
[A5B+K]
[C2H4O]nH2O
279.09333
[M+H]+
C18H15OP
279.15909
C16H22O4
279.22945
[M+H]+
[AB1+Na]+
[C14H28O][C2H4O]n
281.05110
[M+H-CH4]+
[C2H6SiO]4
282.27914
[M+H]+
[A6B+H]+
C18H35NO
283.17513
35
37
C15H24O
[C15H24O][C2H4O]n
[C2H4O]nH2O
284.29479
287.19815
288.25332
[M+H]+
[AB1+Na]+
C18H37NO
[C15H24O][C2H4O]n
C16H33NO3
289.14118
[M+H]+
[A4B+K]+
[C3H6O]nH2O
293.24510
[AB1+Na]
[C15H30O][C2H4O]n
295.22677
[AB2+H]
297.08240
[M+H]+
[C2H6SiO]4
301.14103
[M+Na]
C16H22O4
304.26108
[M+Na]+
[A6B+Na]+
305.15708
306.27673
[C14H22O][C2H4O]n
C18H35NO
[C2H4O]nH2O
C18H37NO
309.22717
[M+Na]+
[A5B+H]+
[C3H6O]nH2O
309.24242
[AB2+H]
[C15H24O][C2H4O]n
315.25299
[M+H]+
C18H34O4
317.11497
C16H22O4
317.20872
[M+K]+
[AB2+Na]+
[C14H22O][C2H4O]n
321.13101
[A6B+K]+
[C2H4O]nH2O
323.25567
[AB2+Na]
[C14H28O][C2H4O]n
325.25847
[M2+H]
327.07807
327.20135
[M+H]+
[A7B+H]+
[C2H4O]nH2O
331.20911
[A5B+Na]+
[C3H6O]nH2O
331.22437
[AB2+Na]+
[C15H24O][C2H4O]n
337.11841
[M+H]+; (120Sn)
[AB2+Na]+
C13H28O2Sn
337.27132
338.34174
C8H18O3
C18H15O4P
[C15H30O][C2H4O]n
C22H43NO
339.25299
[M+H]+
[AB3+H]+
[C14H22O][C2H4O]n
347.18305
[A5B+K]+
[C3H6O]nH2O
349.18329
[A7B+Na]
[C2H4O]nH2O
353.26864
[AB3+H]
[C15H24O][C2H4O]n
355.06994
[M+H-CH4]+
[C2H6SiO]5
355.36829
[M-Cl]+
C22H47N2OCl
360.32368
C22H43NO
361.23493
[M+Na]+
[AB3+Na]+
[C14H22O][C2H4O]n
365.15723
[A7B+K]
[C2H4O]nH2O
367.26903
[A6B+H]
367.28188
[AB3+Na]+
[C14H28O][C2H4O]n
368.42508
[M-Cl]
C25H54NCl
371.10124
371.22756
[M+H]+
[A8B+H]+
[C2H4O]nH2O
371.31559
[M+H]+
C22H42O4
371.31559
C22H42O4
375.25058
[M+H]+
[AB3+Na]+
[C15H24O][C2H4O]n
379.09246
[M2+H]
C10H7NO3
381.29753
[AB3+Na]
383.27920
[AB4+H]
388.12779
[M+NH4]+
[C2H6SiO]5
389.25098
[A6B+Na]
[C3H6O]nH2O
391.28429
393.20951
[M+H]+
[A8B+Na]+
[C2H4O]nH2O
397.29485
[AB4+H]
[C15H24O][C2H4O]n
405.22491
[A6B+K]+
[C3H6O]nH2O
405.26115
[AB4+Na]+
[C14H22O][C2H4O]n
409.18344
[A8B+K]
[C2H4O]nH2O
411.30810
[AB4+Na]
413.26623
415.25378
[M+Na]+
[A9B+H]+
[C2H4O]nH2O
419.27680
[AB4+Na]+
[C15H24O][C2H4O]n
425.31090
[A7B+H]
[C3H6O]nH2O
425.32375
[AB4+Na]
+
+
+
+
+
+
+
+
[C3H6O]nH2O
[C2H6SiO]5
[C15H30O][C2H4O]n
[C14H22O][C2H4O]n
C24H38O4
[C14H28O][C2H4O]n
C24H38O4
[C15H30O][C2H4O]n
427.30542
[AB5+H]+
[C14H22O][C2H4O]n
429.08873
[M+H-CH4]+
[C2H6SiO]6
429.24017
C24H38O4
437.23572
[M+K]+
[A9B+Na]+
441.01479
[M3+ Cu(I)]
441.32107
[AB5+H]
443.01298
[M3+65Cu(I)]+
C10H7NO3
445.12003
[M+H]
[C2H6SiO]6
447.29284
449.28736
[M+H]+
[AB5+Na]+
[C14H22O][C2H4O]n
449.38500
[M2+H]
C13H24N2O
453.20966
[A9B+K]+
[C2H4O]nH2O
453.34353
C24H44N4O4
454.29278
[M+H]
[M+CH3CN+Na]+
455.33431
[AB5+Na]
[C14H28O][C2H4O]n
459.27999
[A10B+H]
[C2H4O]nH2O
462.14658
[M+NH4]+
[C2H6SiO]6
463.26678
[A7B+K]
[C3H6O]nH2O
463.30301
63
[C2H4O]nH2O
+
C10H7NO3
[C15H24O][C2H4O]n
[C3H6O]nH2O
C24H38O4
[AB5+Na]
[C15H24O][C2H4O]n
469.34996
[AB5+Na]
[C15H30O][C2H4O]n
471.33163
472.28781
[AB6+H]
[C14H22O][C2H4O]n
481.26194
[M+H]+
[A10B+Na]+
SLPR
[C2H4O]nH2O
483.35276
[A8B+H]+
[C3H6O]nH2O
485.34728
[AB6+H]
[C15H24O][C2H4O]n
493.31358
[AB6+Na]
494.56593
497.23587
[M-Cl]+
[A10B+K]+
499.36053
[AB6+Na]
503.10752
[M+H-CH4]
+
+
[C14H22O][C2H4O]n
C34H72NCl
[C2H4O]nH2O
+
+
[C14H28O][C2H4O]n
[C2H6SiO]7
503.30621
[A11B+H]+
[C2H4O]nH2O
505.33471
[A8B+Na]+
[C3H6O]nH2O
507.32923
[AB6+Na]
[C15H24O][C2H4O]n
513.37618
515.33001
[AB6+Na]
[C15H30O][C2H4O]n
515.35785
[M+H]+
[AB7+H]+
IQVR
[C14H22O][C2H4O]n
515.41286
[M+H]+
C30H58O4S
519.13882
[M+H]+
[A8B+K]+
[C2H6SiO]7
521.30864
522.59723
[C3H6O]nH2O
C36H76NCl
525.28815
[M-Cl]+
[A11B+Na]+
[C2H4O]nH2O
529.37350
[AB7+H]
[C15H24O][C2H4O]n
531.40777
[M+H]+
C30H58O5S
531.47717
C35H62O3
536.16537
[M+H]
[M+NH4]+
537.33979
[AB7+Na]
537.87901
[M6-6H+3Fe+O]
541.26209
[A11B+K]+
[C2H4O]nH2O
541.39463
[A9B+H]
[C3H6O]nH2O
543.38674
[AB7+Na]
547.33242
[A12B+H]
547.40269
[M+H]+
C30H58O6S
550.62853
C38H80NCl
551.35544
[M-Cl]+
[AB7+Na]+
[C15H24O][C2H4O]n
553.38972
[M+Na]+
C30H58O5S
553.45912
C35H62O3
555.88957
[M+Na]+
[M6-6H+H2O+3Fe+O]+
557.40239
[AB7+Na]+
[C15H30O][C2H4O]n
559.38406
[AB8+H]
[C14H22O][C2H4O]n
563.37657
[A9B+Na]
[C2H6SiO]7
[C14H22O][C2H4O]n
+
+
C2 H 4 O 2
[C14H28O][C2H4O]n
[C2H4O]nH2O
+
+
C2 H 4 O 2
[C3H6O]nH2O
568.13506
[M3+H]+
C10H7NO3
569.31437
571.35622
[A12B+Na]+
[C2H4O]nH2O
573.39971
[M+H]
[AB8+H]+
VSLPR
[C15H24O][C2H4O]n
577.12631
[M+H-CH4]+
[C2H6SiO]8
579.35051
[A9B+K]
[C3H6O]nH2O
581.36601
[AB8+Na]
585.28830
[A12B+K]+
[C2H4O]nH2O
587.41296
[AB8+Na]
[C14H28O][C2H4O]n
591.35864
[A13B+H]
[C2H4O]nH2O
593.15761
595.38166
[M+H]+
[AB8+Na]+
[C15H24O][C2H4O]n
597.90014
[M7-6H+3Fe+O]+
C2 H 4 O 2
599.43649
[A10B+H]
[C3H6O]nH2O
601.42861
[AB8+Na]
603.41028
[AB9+H]
606.09149
[M3+K]
610.18416
[M+NH4]+
[C2H6SiO]8
613.34058
[A13B+Na]
[C2H4O]nH2O
615.40375
617.42593
[M+H]+
[AB9+H]+
621.41844
[A10B+Na]
621.97291
[M6-6H+3Fe+O]+
C3 H 6 O 2
625.39222
[AB9+Na]
[C14H22O][C2H4O]n
629.31452
[A13B+K]
[C2H4O]nH2O
631.43917
633.32023
[AB9+Na]
+
+
+
+
[C14H22O][C2H4O]n
[C2H6SiO]8
[C15H30O][C2H4O]n
[C14H22O][C2H4O]n
C10H7NO3
C32H58N2O7S
[C15H24O][C2H4O]n
+
[C3H6O]nH2O
[C14H28O][C2H4O]n
635.38485
[M+H]+
[A14B+H]+
QTIASN
[C2H4O]nH2O
637.39237
[A10B+K]+
[C3H6O]nH2O
639.40787
[AB9+Na]
[C15H24O][C2H4O]n
[AB9+Na]+
[C15H30O][C2H4O]n
647.43649
[f+H]+
[AB10+H]+
GLTAER (from YLDGLTAER)

[C14H22O][C2H4O]n
651.14510
[M+H-CH4]+
[C2H6SiO]9
657.36680
[A14B+Na]
[C2H4O]nH2O
657.47836
659.38350
[A11B+H]
645.45482
646.35187
[C3H6O]nH2O
[M+H]+
[AB10+H]+
SGIQVR
[C15H24O][C2H4O]n
[M+H]+
[AB10+Na]+
[C2H6SiO]9
[C14H22O][C2H4O]n
673.34073
[M+H]+
[M+H]+
[A14B+K]+
TVSLPR
TVSLPR
[C2H4O]nH2O
675.46539
[AB10+Na]+
[C14H28O][C2H4O]n
679.41107
[A15B+H]+
[C2H4O]nH2O
679.46030
[A11B+Na]
[C3H6O]nH2O
679.51166
683.43409
[M+H]+
[AB10+Na]+
[C15H24O][C2H4O]n
684.20295
[M+NH4]
[C2H6SiO]9
689.48104
[AB10+Na]+
[C15H30O][C2H4O]n
691.46271
[AB11+H]
[C14H22O][C2H4O]n
695.43424
[A11B+K]
[C3H6O]nH2O
701.39301
704.38250
[A15B+Na]
[C2H4O]nH2O
661.45214
667.17640
669.41844
672.40390
672.40390
C36H66N6O6
705.47836
[M+H]+
[AB11+H]+
LDSELK
[C15H24O][C2H4O]n
713.44465
[AB11+Na]+
[C14H22O][C2H4O]n
715.52022
[A12B+H]
[C3H6O]nH2O
717.36695
[A15B+K]
[C2H4O]nH2O
719.49160
[AB11+Na]
723.43728
[A16B+H]
[C14H28O][C2H4O]n
[C2H4O]nH2O
725.16390
[M+H-CH4]+
[C2H6SiO]10
727.46030
732.46544
[AB11+Na]+
[C15H24O][C2H4O]n
733.50725
[M+H]
[AB11+Na]+
GLVLIAF
[C15H30O][C2H4O]n
735.48892
[AB12+H]+
[C14H22O][C2H4O]n
737.50217
[A12B+Na]
[C3H6O]nH2O
741.19520
742.44979
743.44101
745.41923
[M+H]+
[M+H]+
[M+H]+
[A16B+Na]+
GPFPILV
ATVSLPR
[C2H4O]nH2O
749.50457
[AB12+H]+
[C15H24O][C2H4O]n
753.47610
[A12B+K]
[C3H6O]nH2O
757.47087
[AB12+Na]
758.22175
758.41553
[M+NH4]+
[C2H6SiO]10
761.39316
[M+H]+
[A16B+K]+
PATLNSR
[C2H4O]nH2O
763.51782
[AB12+Na]+
[C14H28O][C2H4O]n
767.46350
[A17B+H]
[C2H4O]nH2O
771.48652
[AB12+Na]
773.56209
[A13B+H]+
[C3H6O]nH2O
777.53347
[AB12+Na]
[C15H30O][C2H4O]n
779.51514
[AB13+H]
789.44544
[A17B+Na]
793.53079
[AB13+H]
795.54403
[A13B+Na]+
[C3H6O]nH2O
798.58785
[M2+NH4]+
C24H38O4
801.49708
802.43051
[AB13+Na]
[C14H22O][C2H4O]n
803.54324
804.40978
+
+
+
+
+
+
[C2H6SiO]10
[C14H22O][C2H4O]n
[C15H24O][C2H4O]n
[C14H22O][C2H4O]n
[C2H4O]nH2O
[C15H24O][C2H4O]n
[M+H]+
[M2+Na]+
LSSPATLN
C24H38O4
[M+H]+
SEIDNVK
805.41626
[M+H]+
[A17B+K]+
SAASLNSR
[C2H4O]nH2O
[M+H]+
[AB13+Na]+
LAADDFR
[C14H28O][C2H4O]n
809.48691
[M+H]+
[AB10+Na]+
LASYLDK
[C18H34O6][C2H4O]n
811.48971
[A18B+H]+
[C2H4O]nH2O
811.51797
[A13B+K]
[C3H6O]nH2O
815.51273
[AB13+Na]+
[C15H24O][C2H4O]n
819.51718
[M2+K]
C24H38O4
821.55968
[AB13+Na]
823.54135
824.49887
827.42978
827.46214
[AB14+H]
805.41938
807.39954
807.54403
809.44035
[C15H30O][C2H4O]n
[C14H22O][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[A14B+H]+
PGVVSLPR
FASFIDK
PEIQNVK
[C3H6O]nH2O
833.47166
[M+H]+
[A18B+Na]+
SISISVAR
[C2H4O]nH2O
837.55700
[AB14+H]+
839.09742
842.50943
[M4-2H+K+2Na]
831.60395
832.48870
[C15H24O][C2H4O]n
+
C10H7NO3
[M+H]+
[M4-3H+4Na]+
VATVSLPR
C10H7NO3
[AB14+Na]+
[C14H22O][C2H4O]n
849.44559
[M+H]
[A18B+K]+
AFIDKVR
[C2H4O]nH2O
851.57025
[AB14+Na]+
[C14H28O][C2H4O]n
853.51313
[AB11+Na]
[C18H34O6][C2H4O]n
853.58590
[A14B+Na]
[C3H6O]nH2O
855.07136
[M4-2H+Na+2K]+
C10H7NO3
855.51593
[A19B+H]
[C2H4O]nH2O
845.10543
845.52330
848.49886
859.53895
[AB14+Na]+
[C15H24O][C2H4O]n
861.07937
863.47338
865.47780
[M4-3H+3Na+K]+
C10H7NO3
865.54951
[f+H]
[f+H]+
[AB10+Na]+
SFLINNR (from THNLEPYFESFINNLR)

IEIATYR (from LALDIEIATYR)
[C22H42O6][C2H4O]n
865.58590
[AB14+Na]+
867.08737
[M4-4H+5Na]
867.56757
[AB15+H]+
[C14H22O][C2H4O]n
869.55983
870.54073
[A14B+K]+
[C3H6O]nH2O
[M+H]
[M4-2H+3K]+
VATVSLPR N-term. methylated

C10H7NO3
[M+H]+
[M+H]+
[A19B+Na]+
QATVSLPR
SLVNLGGSK
[C2H4O]nH2O
[M+H]+
[AB15+H]+
SLYGLGGSK
[C15H24O][C2H4O]n
889.54951
[M+H]+
[AB15+Na]+
RVYVHPI
[C14H22O][C2H4O]n
889.64582
[A15B+H]+
[C3H6O]nH2O
891.56516
[AB10+Na]
[C24H44O6][C2H4O]n
893.47181
[A19B+K]
893.58081
[AB10+Na]+
[C24H46O6][C2H4O]n
895.59646
[AB15+Na]+
[C14H28O][C2H4O]n
897.53934
899.53089
[AB12+Na]
[C18H34O6][C2H4O]n
871.04530
871.49959
874.49926
877.49787
881.47271
881.58322
883.51485
[C15H30O][C2H4O]n
+
C10H7NO3
[C2H4O]nH2O
899.54214
[M+H]+
[A20B+H]+
VQTVSLPR
[C2H4O]nH2O
903.56516
[AB15+Na]+
[C15H24O][C2H4O]n
905.67979
906.50434
906.50434
[M+H]+
[M+H]+
[M+H]+
C48H88N8O8
NKPGVYTK
NKPGVYTK
909.57573
[AB11+Na]+
[C22H42O6][C2H4O]n
909.61211
[AB15+Na]+
[C15H30O][C2H4O]n
911.59378
[AB16+H]
[C14H22O][C2H4O]n
911.62776
917.49920
[A15B+Na]
+
+
[C3H6O]nH2O
921.52409
[M+H]+
[A20B+Na]+
RVYVHPF
[C2H4O]nH2O
925.60943
[AB16+H]+
[C15H24O][C2H4O]n
927.60170
931.51485
[A15B+K]+
[C3H6O]nH2O
933.57573
[M+H]
[AB16+Na]+
RVYIHPF
[C14H22O][C2H4O]n
935.59138
[AB11+Na]+
[C24H44O6][C2H4O]n
937.49802
[A20B+K]
[C2H4O]nH2O
937.60703
[AB11+Na]+
[C24H46O6][C2H4O]n
939.62268
[AB16+Na]+
[C14H28O][C2H4O]n
941.56556
[AB13+Na]
[C18H34O6][C2H4O]n
947.59138
[AB16+Na]
[C15H24O][C2H4O]n
947.68768
950.47305
[A16B+H]
[C3H6O]nH2O
953.60194
[M+H]+
[AB12+Na]+
YVNWIQQ
[C22H42O6][C2H4O]n
953.63833
[AB16+Na]+
[C15H30O][C2H4O]n
955.62000
[AB17+H]
[C14H22O][C2H4O]n
969.63565
[AB17+H]
[C15H24O][C2H4O]n
969.66963
973.53129
[A16B+Na]
[C3H6O]nH2O
[M+H]+
[AB17+Na]+
IEISELNR
[C14H22O][C2H4O]n
979.61759
[M+H]+
[AB12+Na]+
GTSYPDVLK
[C24H44O6][C2H4O]n
981.63324
[AB12+Na]+
[C24H46O6][C2H4O]n
983.64889
985.59177
[AB17+Na]
[AB14+Na]+
[C14H28O][C2H4O]n
[C18H34O6][C2H4O]n
977.60194
979.50949
985.64356
[A16B+K]+
[C3H6O]nH2O
991.61759
[AB17+Na]+
994.15551
995.51966
[M5-H2O-2H+3Na]
C10H7NO3
997.62816
[M+H]+
[AB13+Na]+
IKEWYEK
[C22H42O6][C2H4O]n
997.66454
[AB17+Na]+
[C15H30O][C2H4O]n
999.64621
1000.56734
1002.58299
1003.55309
[AB18+H]
[C14H22O][C2H4O]n
[C15H24O][C2H4O]n
+
[M+H]+
[M+H]+
[M+H]+
[A17B+H]+
LQAEIEGLK
LVVSTQTALA, C-terminus
SEITELRR
[C3H6O]nH2O
[AB18+H]+
[C15H24O][C2H4O]n
[M+H]+
[M+H]+
[AB18+Na]+
APILSDSSCK
SIPYQVSLN
[C14H22O][C2H4O]n
1023.64381
[M+H]+
[M+H]+
[AB13+Na]+
SSYPGQITGN
NEQFISASK
[C24H44O6][C2H4O]n
1025.65946
[AB13+Na]+
[C24H46O6][C2H4O]n
1027.67511
[AB18+Na]
[C14H28O][C2H4O]n
1027.71149
[A17B+Na]+
[C3H6O]nH2O
1029.61799
1031.59830
1033.51603
[AB15+Na]+
[C18H34O6][C2H4O]n
[M+H]
[M+H]+
[AB18+Na]+
VLDELTLTK
TLLEGEESR
[C15H24O][C2H4O]n
[M5-2H2O-4H+4Na+K]+
C10H7NO3
1041.65437
[M+H]+
[M+H]+
[AB14+Na]+
IRDWYQR
YLDGLTAER
[C22H42O6][C2H4O]n
1041.69076
[AB18+Na]+
[C15H30O][C2H4O]n
1005.72955
1013.66186
1020.50302
1020.53604
1021.62816
1023.47417
1023.51055
1035.64381
1036.08277
1036.53229
1037.52620
1043.67243
[AB19+H]+
1043.68543
[A17B+K]+
1044.11395
1045.56365
1046.59528
[M5-2H+Na+2K]
[C14H22O][C2H4O]n
[C3H6O]nH2O
+
C10H7NO3
1054.09334
[M+H]+
[M+H]+
[M5-H2O-4H+4Na+K]+
LSSPATLNSR
LKSAASLNSR
C10H7NO3
1057.68808
[AB19+H]+
[C15H24O][C2H4O]n
1060.08789
1060.56331
[M5-2H+3K]+
C10H7NO3
[M+H]+
[A18B+H]+
TLLDIDNTR
[C3H6O]nH2O
[M+H]+
[M+H]+
[M+H]+
[AB19+Na]+
DIIRAVGAYS
LASYLDKVR
STMQELNSR
[C14H22O][C2H4O]n
[M5-3H+2K+2Na]+
C10H7NO3
[M+H]+
[AB14+Na]+
FAAFIDKVR
[C24H44O6][C2H4O]n
[AB14+Na]+
[C24H46O6][C2H4O]n
1071.70132
[M+H]
[AB19+Na]+
LAGLEEALQK
[C14H28O][C2H4O]n
1073.64420
[AB16+Na]+
[C18H34O6][C2H4O]n
1079.67002
1080.53201
1082.59931
[AB19+Na]
[C15H24O][C2H4O]n
1063.77141
1064.57349
1064.60987
1065.49934
1065.65437
1066.09590
1066.60439
1067.67002
1069.68567
1071.60445
1085.68059
[f+H]+
[M+H]+
[AB15+Na]+
GNEQFISASK (from LGEDNINVVEGNEQFISASK)

FASFIDKVR
[C22H42O6][C2H4O]n
1085.71697
[AB19+Na]+
[C15H30O][C2H4O]n
1085.75336
[A18B+Na]
[C3H6O]nH2O
1087.69864
1090.53097
1091.54800
[AB20+H]
[M+H]+
[M+H]+
[C14H22O][C2H4O]n
VTMQNLNDR
GNEQFINAAK
1101.71429
[AB20+H]+
[C15H24O][C2H4O]n
1101.72729
1109.48982
[A18B+K]+
[C3H6O]nH2O
[M+H]
[AB20+Na]+
DAEAWFNEK
[C14H22O][C2H4O]n
1111.69624
[M+H]+
[AB15+Na]+
VCNYVSWIK
[C24H44O6][C2H4O]n
1113.71189
[AB15+Na]+
[C24H46O6][C2H4O]n
1115.72754
[AB20+Na]+
[C14H28O][C2H4O]n
1117.67042
1118.50860
1121.58372
[AB17+Na]+
[C18H34O6][C2H4O]n
[M+H]
[M+H]+
[A19B+H]+
HGNSHQGEPR
QEYEQLIAK
[C3H6O]nH2O
[AB20+Na]+
[C15H24O][C2H4O]n
[M+H]+
[M+H]+
[AB16+Na]+
IITHPNFNGN
LSELEAALQR
[C22H42O6][C2H4O]n
[AB20+Na]+
[C15H30O][C2H4O]n
[M+H]
[M+H]+
[A19B+Na]+
DYQELMNTK
VCNYVSWIK (W - oxid.)
[C3H6O]nH2O
[M+H]+
[AB16+Na]+
SSGTSYPDVLK
[C24H44O6][C2H4O]n
1157.73810
[M+H]+
[AB16+Na]+
QGVDADINGLR
[C24H46O6][C2H4O]n
1159.76916
[A19B+K]+
[C3H6O]nH2O
1161.69663
1165.58478
[AB18+Na]
[C18H34O6][C2H4O]n
1168.58194
[M+H]+
[AB17+Na]+
[C22H42O6][C2H4O]n
[M+H]+
MFCAGYLEGGK
1109.68059
1111.56048
1121.81328
1123.69624
1126.56399
1129.62117
1129.70680
1129.74319
1141.51941
1143.55031
1143.79522
1153.57354
1155.72245
1157.59093
1173.73302
1175.52238
[M+H]+
LENEIQTYR
VCcamNYVSWIK
1175.63404
1179.60043
1179.85514
1183.61574
1190.60855
[M+H]+
[M+H]+
[A20B+H]+
TLDNDIMLIK
YEELQITAGR
[C3H6O]nH2O
[M+H]+
[M+H]+
NVEIDPEIQK
QVLDNLTMEK
MoxFCAGYLEGGK
1191.51730
[M+H]+
1191.62896
1193.61608
[M+H]+
[M+H]+
[AB17+Na]+
1199.74867
1200.57177
1201.76432
1201.83709
1203.64019
TLDNDIMoxLIK
YEELQVTVGR
[C24H44O6][C2H4O]n
[M+H]+
[AB17+Na]+
VCcamNYVSWIK (W - oxid.)
[A20B+Na]
[C3H6O]nH2O
[C24H46O6][C2H4O]n
[M+H]+
[AB19+Na]+
TLDNDIMLIR
[C18H34O6][C2H4O]n
1217.75923
[M+H]+
[M+H]+
[M+H]+
[AB18+Na]+
TAAENDFVTLK
SSGGTSYPDVLK
SSGGTSYPDVLK
[C22H42O6][C2H4O]n
1217.81102
[A20B+K]+
[C3H6O]nH2O
1219.63510
1220.59059
TLDNDIMoxLIR
1225.12537
[M+H]
[M+H]+
[M6-2H2O-4H+4Na+K]+
EGNEQFINAAK
C10H7NO3
1229.80022
[M2+H]+
C32H58N2O7S
1232.54385
1232.59780
1235.52873
MFCcamAGYLEGGK
1243.77488
[M+H]+
[M+H]+
[M+H]+
[AB18+Na]+
SGGGGGGGLGSGGSIR
FSSSSGYGGGSSR
[C24H44O6][C2H4O]n
1245.79053
[AB18+Na]+
[C24H46O6][C2H4O]n
1248.53876
[M+H]+
[AB20+Na]+
MoxFCcamAGYLEGGK
1205.72285
1208.61574
1210.59501
1210.59501
1249.74906
[C18H34O6][C2H4O]n
1251.70959
1254.60730
1261.78545
1262.59714
1262.75793
1265.63721
1267.70450
1277.63319
1277.70998
1278.58553
1278.64369
1282.66912
[M+H]+
[M+H]+
[AB19+Na]+
YIPIQYVLSR
GFSSGSAVVSGGSR
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
SLLEGEGSSGGGGR
LLHGVATVSLPR
TNAENEFVTIK
YLGYLEQLLR
SDQSRLDSELK
LALDIEIATYR
GSCcamGIGGGIGGGSSR
1287.80110
[M+H]+
[M+H]+
[M+H]+
[AB19+Na]+
1289.81675
[AB19+Na]+
[C24H46O6][C2H4O]n
1293.77528
1296.68477
1301.65834
1302.70121
1302.71512
1305.71613
[AB21+Na]+
[C18H34O6][C2H4O]n
[M+H]
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[AB20+Na]+
DRVYIHPFHL
ALEEANADLEVK
NSKIEISELNR
SLDLDSIIAEVK
HLVDEPQNLIK
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
IKFEMEQNLR
VEGNEQFISASK
NKYEDEINKR
DQIVDLTVGNNK
TLDNDIMLIRL
HGGGGGGFGGGGFGSR
IKFEMoxEQNLR
1305.81166
1307.67764
1308.64302
1308.65426
1315.68523
1316.72425
1320.58283
1323.67255
1329.63933
1331.82731
[M+H]+
[M+H]+
[AB20+Na]+
YEQLAEQNRK
DRVYVHPFHL
[C24H44O6][C2H4O]n
NVQDAIADAEQR
[C24H44O6][C2H4O]n
1332.71917
1333.84296
1336.71071
1337.80149
1340.66924
1344.67539
1349.83788
1350.68729
1357.69579
1357.71825
1365.63933
1366.69612
1367.67024
1371.71144
1374.69334
1375.85353
1377.86918
1381.64817
1381.82771
1383.69031
1384.72999
1390.68087
1393.73217
1393.86409
1399.69262
1399.70048
1418.72742
1419.74783
1419.79544
1419.87974
TLDNDIMoxLIRL
[M+H]+
[AB20+Na]+
[C24H46O6][C2H4O]n
[M+H]
[AB22+Na]+
TAAENDFVTLKK
[C18H34O6][C2H4O]n
[M+H]+
[M+H]+
[AB21+Na]+
SKAEAESLYQSK
ASLEAAIADAEQR
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[AB21+Na]+
IGLGGRGGSGGSYGR
LNDLEDALQQAK
QSVEADINGLRR
SQYEQLAEQNR
RISNSTSPTSFVA
VFTSWTGGGAAASR
LNDLEEALQQAK
DLNMDNIVAEIK
[C24H44O6][C2H4O]n
[AB21+Na]+
[C24H46O6][C2H4O]n
[M+H]+
[AB23+Na]+
ALEESNYELEGK
[C18H34O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[AB22+Na]+
SLNNQFASFIDK
FFVAPFPEVFGK
QSLEASLAETEGR
TNAENEFVTIKK
[C22H42O6][C2H4O]n
[M+H]+
[f+H]+
[M+H]+
[M+H]+
[M+H]+
[AB22+Na]+
TVMENFVAFVDK
PYFESFINNLR (from THNLEPYFESFINNLR)
VDALNDEINFLR
LEGLTDEINFLR
LGLDIEIATYRR
[C24H44O6][C2H4O]n
1421.89539
1424.76448
1425.85392
1433.72056
1434.76996
1437.89031
1438.74374
1439.81176
1442.80019
1443.64204
1447.77510
1449.71548
1453.83731
1463.90596
1465.71039
1465.92161
1469.88014
1475.74888
1475.78527
1476.80567
1479.79544
1481.91652
1490.74203
1491.74380
1491.75185
1493.59953
1493.73430
1495.61518
1507.73872
1507.93217
[AB22+Na]+
[C24H46O6][C2H4O]n
[M+H]+
[AB24+Na]+
AAKIITHPNFNGN
[C18H34O6][C2H4O]n
[M+H]+
[M+H]+
[AB23+Na]+
LQGIVSWGSGCAQK
IRLENEIQTYR
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
NNQFASFIDKVR
RHPEYAVSVLLR
LPDIFEAQIAGLR
YICcamDNQDTISSK
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[AB23+Na]+
AIGGGLSSVGGGSSTIK
LQGIVSWGSGCAQK (W - oxid. I)
EVTINQSLLAPLR
[C24H44O6][C2H4O]n
[M+H]+
[AB23+Na]+
LQGIVSWGSGCAQK (W - oxid. II)

[C24H46O6][C2H4O]n
[AB25+Na]+
[C18H34O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[AB24+Na]+
WELLQQVDTSTR
FLEQQNQVLQTK
FLEQQNKVLETK
LGEYGFQNALIVR
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[AB24+Na]+
LQGIVSWGSGCcamAQK
WELLQQVDTSTR (W - oxid. I)
FYAPELLYYANK
DSCQGDSGGPVVCSGK ox. S-S bond
SQYEQLAEQNRK
DSCQGDSGGPVVCSGK
WELLQQVDTSTR (W - oxid. II)
[C24H44O6][C2H4O]n
1509.94782
[AB24+Na]+
[C24H46O6][C2H4O]n
1513.90635
1521.75436
[AB26+Na]+
[C18H34O6][C2H4O]n
[M+H]
1522.73186
[M+H]+
[AB25+Na]+
NVVEGNEQFISASK
LQGIVSWoxGSGCcamAQK
1525.94274
[C22H42O6][C2H4O]n
SGGGGGGGGCcamGGGGGVSSLR
1551.95839
[M+H]+
[AB25+Na]+
1553.97404
[AB25+Na]+
[C24H46O6][C2H4O]n
1557.93257
1566.73944
1567.74274
[AB27+Na]
[C18H34O6][C2H4O]n
[M+H]+
[M+H]+
[AB26+Na]+
LGEHNIDVLEGNEQ
DAFLGSFLYEYSR
[C22H42O6][C2H4O]n
[M+H]+
[AB26+Na]+
VQALEEANNDLENK
[C24H44O6][C2H4O]n
[AB26+Na]+
[C24H46O6][C2H4O]n
[M+H]
[AB28+Na]+
NKLNDLEDALQQAK
[C18H34O6][C2H4O]n
[AB27+Na]+
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
[AB27+Na]+
EQFINAAKIITHPN
SLNNQFASFIDKVR
[C24H44O6][C2H4O]n
[M+H]+
[AB27+Na]+
KVPQVSTPTLVEVSR
[C24H46O6][C2H4O]n
[AB29+Na]+
[C18H34O6][C2H4O]n
[M+H]
[AB28+Na]+
SGGGFSSGSAGIINYQR
[C22H42O6][C2H4O]n
1684.03703
[M+H]+
[M+H]+
[AB28+Na]+
TKPSQARGFHPRAGR
LGEDNINVVEGNEQF
[C24H44O6][C2H4O]n
1686.05268
[AB28+Na]+
[C24H46O6][C2H4O]n
1549.67720
1569.96895
1585.75840
1595.98460
1598.00025
1599.83368
1601.95878
1613.99517
1623.88532
1638.76566
1640.01082
1639.93775
1642.02647
1645.98500
1657.79287
1658.02138
1665.90443
1676.77623
[C24H44O6][C2H4O]n
1687.97011
[M+H]+
[AB30+Na]+
SLVNLGGSKSISISVAR
[C18H34O6][C2H4O]n
[AB29+Na]+
[C22H42O6][C2H4O]n
1728.06325
[M+H]
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[AB29+Na]+
GSLGGGFSSGGFSGGSFSR
FSSCGGGGGSFGAGGGFGSR
LGEHNIDVLEGNEQF
QISNLQQSISDAEQR
VCNYVSWIKQTIASN
[C24H44O6][C2H4O]n
1730.07890
[AB29+Na]+
[C24H46O6][C2H4O]n
1734.03743
1744.92283
[AB31+Na]+
[C18H34O6][C2H4O]n
[M+H]+
[AB30+Na]+
NNLEPILEGYISNLR
[C22H42O6][C2H4O]n
[M+H]+
VCNYVSWIKQTIASN (W - oxid.)
FSSCcamGGGGGSFGAGGGFGSR
1690.01121
1702.04760
1707.77214
1708.71325
1713.80785
1716.85112
1725.86287
1746.07381
1757.85270
1765.73471
1772.08946
1774.10511
1774.85026
1774.89700
1778.06364
1790.10003
1791.72772
1792.87858
1797.01165
1816.11568
1818.13133
1830.84056
1834.12624
1837.96542
1838.91439
[M+H]+
[AB30+Na]+
[AB30+Na]
[C24H44O6][C2H4O]n
[C24H46O6][C2H4O]n
[M+H]+
[M+H]+
[AB32+Na]+
IVGGYTCGANTVPY & CLK via S-S bond

NIDVLEGNEQFINAAK
[C18H34O6][C2H4O]n
[AB31+Na]+
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
[M+H]+
[AB31+Na]+
GGSGGSYGGGGSGGGYGGGSGSR
LEAELGNMQGLVEDFK
NVQALEIELQSQLALK
[C24H44O6][C2H4O]n
[AB31+Na]+
[C24H46O6][C2H4O]n
[M+H]+
[AB32+Na]+
SDQYGRVFTSWTGGGAAA
[C22H42O6][C2H4O]n
[M+H]+
[M+H]+
HGVQELEIELQSQLSK
SISISVAGGGGGFGAAGGFGGR
1847.80510
1851.92693
[M+H]+
[M+H]+
[AB32+Na]+
SNMDNMFESYINNLR
TLNDMRQEYEQLIAK
[C24H44O6][C2H4O]n
1862.15754
1940.93485
1987.07801
1993.97666
1993.98253
[AB32+Na]+
[C24H46O6][C2H4O]n
[M+H]
[M+H]+
[M+H]+
[M+H]+
2003.07293
2021.98868
[M+H]+
[M+H]+
LGEHNIDVLEGNEQFIN
TLDNDIMLIKLSSPATLN, K methylated
THNLEPYFESFINNLR
SSGGSSSVKFVSTTYSGVTR
TLDNDIMoxLIKLSSPATLN, K methylated
2055.01485
[M+H]
2082.96483
2083.00908
2109.01285
2150.07777
2155.08522
2163.05642
2171.02466
2184.12551
2185.03837
2193.00248
2193.99436
2201.01231
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+Na]+
[M+H]+
[M+K]+
[M+H]+
2208.99740
[M+H]+
2209.98927
2211.10404
2225.11969
[M+H]+
[M+H]+
[M+H]+
2225.15608
2239.13534
2240.16966
[f+H]+
[M+H]+
[M+H]+
1860.14189
SSGGSSSVRFVSTTYSGVTR
RVLGQLHGGPSSCcamSATGTNR
AETECcamQNTEYQQLLDIK
LGEHNIDVLEGNEQFINAA
ELQSQISDTSVVLSMDNSR
THNLEPYFESFINNLRR
IITHPNFNGNTLDNDIMLI
LGEDNINVVEGNEQFISASK
SDLEMQYETLQEELMALK
NKLNDLEDALQQAKEDLAR
LGEDNINVVEGNEQFISASK sodiated
MFCAGYLEGGK & APILSDSSCK via S-S bond
SAYPGQITSNMFCAGYLEGGK
LGEDNINVVEGNEQFISASK potassiated
MoxFCAGYLEGGK & APILSDSSCK via S-S bond
SAYPGQITSNMoxFCAGYLEGGK
LGEHNIDVLEGNEQFINAAK
LGEHNIDVLEGNEQFINAAK, K part. methylated
SIVHPSYNSNTLNNDIMoxLIK -[CH3SOH]
LGEHNIDVLEGNEQFINAAK, K methylated
ADLEFQIESLTEELAYLKK
2251.01582
[M+H]+
SAYPGQITSNMFCcamAGYLEGGK
2267.01074
2273.15944
2283.18018
2283.18018
2286.12484
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
SAYPGQITSNMoxFCcamAGYLEGGK
2289.15437
2295.14139
2297.19584
[M+H]+
[M+Na]+
[M+H]+
2305.14928
[M+H]+
2311.13631
2321.20707
2329.17425
2343.18901
2353.19690
2367.26267
2375.17884
2383.95186
2400.27441
2501.06722
2501.25182
2510.13177
2514.33847
[M+Na]+
[M+H]+
[M+H]+
[M+Na]+
[M+H]+
[M+H]+
[M+Na]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
2530.33339
2550.23269
2552.24834
2564.18093
2564.36786
2566.27838
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
2581.19473
[M+H]+
SIVHPSYNSNTLNNDIMLIK
IITHPNFNGNTLDNDIMLIK
IITHPNFNGNTLDNDIMLIK
AEAESLYQSKYEELQITAGR
SIVHPSYNSNTLNNDIMoxLIK (M - oxid.)
SIVHPSYNSNTLNNDIMLIK sodiated
IITHPNFNGNTLDNDIMLIK, K part. methylated
SIVHPSYNSNTLNNDIMoxoxLIK (M - 2 oxid.)
SIVHPSYNSNTLNNDIMoxLIK (M - oxid.) sodiated
LQGIVSWGSGCAQKNKPGVYTK
QISNLQQSISDAEQRGENALK
LQGIVSWGSGCAQKNKPGVYTK sodiated
LQGIVSWGSGCAQKNKPGVYTK (W - oxid.)
NQILNLTTDNANILLQIDNAR
LQGIVSWGSGCAQKNKPGVYTK (W - oxid.) sodiated
GGGGGGYGSGGSSYGSGGGSYGSGGGGGGGR
IIKHPNYSSWTLNNDIMLIK
AAFGGSGGRGSSSGGGYSSGSSSYGSGGR
SKAEAESLYQSKYEELQITAGR
EIETYHNLLEGGQEDFESSGAGK
SIVHPSYNSNTLNNDIMLIKLK
SIVHPSYNSNTLNNDIMoxLIKLK
VASISLPTSCASAGTQCLISGWGNTK, -S-S-bond
VASISLPTSCASAGTQCLISGWGNTK
SGSHFCGGSLINSQWVVSAAHCYK, -S-S- bond
EVTQLRHGVQELEIELQSQLSK
SKEEAEALYHSKYEELQVTVGR
FSGECcamAPNVSVSVSTSHTTISGGGSR
2612.18093
2613.34938
2614.19658
[M+H]+
[M+H]+
[M+H]+
2666.29127
[M+H]+
2670.37084
2705.16112
2707.41621
2720.36337
[M+H]+
[M+H]+
[M+H]+
[M+H]+
2728.23951
[M+H]+
2746.41925
2748.39467
2807.31407
2872.39278
2902.41052
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
2904.38261
2914.50576
2932.51632
3211.47446
3223.28159
[M+H]+
[M+H]+
[M+H]+
[M+H]+
[M+H]+
3227.46937
3312.30814
3337.73214
3346.68149
[M+H]+
[M+H]+
[M+H]+
[M+H]+
3353.72706
[M+H]+
SGYHFCGGSLINSQWVVSAAHCYK, -S-S- bond

NKPGVYTKVCNYVSWIKQTIASN
SGYHFCGGSLINSQWVVSAAHCYK
VASISLPTSCcamASAGTQCcamLISGWGNTK
NKPGVYTKVCcamNYVSWIKQTIASN
GGGGSFGYSYGGGSGGGFSASSLGGGFGGGSR
IQVRLGEHNIDVLEGNEQFINAAK
IVGGYTCAAN & TKSSGSSYPSLLQCLK, via S-S bond
SGYHFCcamGGSLINSQWVVSAAHCcamYK
YCcamVQLSQIQAQISALEEQLQQIR
IVGGYTCAAN & TKSSGSSYPSLLQCLK, via S-S bond, N-term. Methyl.
SGSHFCGGSLINSQWVVSAAHCYKSR, -S-S- bond
NVSTGDVNVEMNAAPGVDLTQLLNNMR
NYSPYYNTIDDLKDQIVDLTVGNNK
NVSTGDVNVEMoxNAAPGVDLTQLLNNMoxR
LGEHNIDVLEGNEQFINAAKIITHPN, K methylated
FLEQQNQVLQTKWELLQQVDTSTR
SAYPGQITSNMFCAGYLEGGK & APILSDSSCK via S-S bond
GGSGGSHGGGSGFGGESGGSYGGGEEASGSGGGYGGGSGK
SAYPGQITSNMoxFCAGYLEGGK & APILSDSSCK via S-S bond
GSYGSGGSSYGSGGGSYGSGGGGGGHGSYGSGSSSGGYR
IITHPNFNGNTLDNDIMLIRLSSPATLNSR
LGEHNIDVLEGNEQFINAAKIITHPNFNGN, K methylated
IITHPNFNGNTLDNDIMoxLIRLSSPATLNSR
Compound ID or species
Possible origin and other comments
ESI
Methanol
Acetonitrile, solvent
ACN
ACN
PEG
Polyethylene glycol, ubiquitous polyether
ACN
Methanol, solvent
Dimethyl formamide
solvent
Acetonitrile/Methanol
ESI solvents
Polypropylene glycol, ubiquitous polyether
Dimethylsulfoxide, solvent
ESI solvents

d6-Dimethylsulfoxide, solvent
Acetonitrile/Formic Acid
ESI solvents
ESI solvents
PPG
NMP
N-methyl 2-pyrrolidone; solvent, floor stripper
PEG
Methanol
PPG
DMSO
Acetonitrile
PEG
d6-DMSO
DMSO
Methanol/Water
ESI solvents
Acetonitrile/Acetic Acid
ESI solvents
TEA
Triethylamine, buffer
ACN
ESI solvents
ACN
ACN
PEG
PPG
solvent
TRIS
TRIS, buffer
Methanol/Water
ESI solvents
Dimethylaminopyridine, solvent
ESI solvents
Diisopropylethylamine, solvent
Cesium, from Cesium Iodide used as calibrant
X
X
ESI solvents
DMSO
DMSO
TPA
Tripropylamine, solvent
ACN
Acetonitrile, solvent, together with m/z 147
PEG
ACN
ACN
Acetonitrile, solvent, together with m/z 145
ESI solvents
fragment ion originating from phthalate esters
solvent
Sodium acetate
Acetonitrile/Dimethylformamide
DMSO
DMAP
Acetonitrile/Acetic Acid
PEG
DIPEA
Cs-133
Methanol/Water
PPG
Pthalic Anhydride
Phenyldiethylamine
PEG
DBU
1,8-Diazabicyclo[5.4.0]undec-7-ene
ESI solvents
NaTFA
Sodium trifluoroacetate, salt
Dimethyl phthalate
Phthalate esters, plasticizer
Diethylene glycol monobutyl ether, cpd. In scintillation cockt
ESI solvents
d6-Dimethylsulfoxide, solvent
from phthalate esters, plasticizer
Methanol/Water
DMSO
PPG
DGBE
d6-DMSO
Phthalic anhydride
4-HCCA
matrix compound
PPG
PEG
BHA
Butylated hydroxyanisole, antioxidant additives
DPK
Diphenyl ketone
Methanol/Water
ESI solvents
GE
glycol ether
TBA
Tributylamine, solvent
PEG
DMSO
4-HCCA
PPG
matrix compound
Phthalate esters, plasticizer
PEG
BHA
Butylated hydroxyanisole, antioxidant additives
ESI solvents
Dimethyl phthalate
Methanol/Water
4-HCCA
n-BBS
PPG
matrix compound, sodiated

n-butyl benzenesulfonamide, plasticizer
PEG
BTH
Butylated hydroxytoluene, Antioxidant
DCU
N,N'-Dicyclohexylurea
4-HCCA
PPG
matrix compound, potassiated

TEA.HCl
Triethylamine-hydrochloride, buffer
TEA.HCl
Triethylamine-hydrochloride, buffer
Tetrabutylammonium, buffer
Trityl cation, [Ph3C]+
BTH
Butylated hytroxytoluene, Antioxidant additives
PPG
Triton
X-100, X-114, X-405, or X-45 Detergents
DMSO
101 Detergents
TBP
Tributylphosphate
MMT
Monomethoxytrityl cation
PPG
Triton
PEG
TPO
Triphenylphosphine oxide
Dibutylphthalate
Plasticiser, phtalate ester
X-100R, X-114R, X-405R, or X-45R Detergents
Polysiloxane, (neutral methane loss from m/z 297)
Slip agent in polyethylene films
n-BBS
PEG
n-BBS
PEG
TBA
Trityl cation
PEG
Triton
Triton, reduced
Polysiloxane
Oleamide
PEG
Stearamide
101 Detergents
n,n-bis(2-hydroxyethyl) dodecanamide, anti-static agent
101R Detergents
Polysiloxane
Polysiloxane, followed by m/z
Dibutylphthalate
Dibutylphthalate, plasticizer
101 Detergents
Triton
n,n-DDA
PPG
Triton, reduced
Triton
Oleamide
PEG
Stearamide
PPG
Triton
DBS
Dibutyl sebacate, plasticizer
Dibutylphthalate
Dibutylphthalate, plasticizer
Triton
PEG
Diethylene glycol monobutyl ether, cpd. In scintillation cockt
TPP
Triphenyl phosphate, flame retardant in plastics
PEG
PPG
101 Detergents
Tributyl tin formate, catalyst
101R Detergents
Erucamide, (Cis-13-docosenoic amide)
PPG
PEG
101 Detergents
Triton, reduced
DGBE
Triton
Tributyl tin formate
Triton, reduced
Erucamide
Triton
Triton
Polysiloxane
Palmitamidopropyl-trimonium chloride, personal care product
Erucamide, (Cis-13-docosenoic amide)
Triton
PEG
PPG
Behentrimonium chloride, personal care product additive
Polysiloxane, followed by m/z 388
Bis(2-ethylhexyl) adipate, plasticizer
DOA
Dioctyl adipate, plasticizer
Triton
101 Detergents
Erucamide
Triton, reduced
BTAC-228
Polysiloxane
PEG
DEHA
4-HCCA
Triton, reduced
matrix cluster, dimer

101R Detergents
Polysiloxane, (see m/z 371)
Diisooctyl phthalate, plasticiser
101 Detergents
Triton
PEG
101 Detergents
101R Detergents
Triton
Polysiloxane
PPG
Diisooctyl phthalate
PEG
Triton
PPG
Triton, reduced
PEG
Triton
PPG
Triton, reduced
Triton
Polysiloxane
PEG
4-HCCA
Triton
4-HCCA
Polysiloxane
matrix-copper adduct, together with m/z 443

101 Detergents
matrix-copper adduct, together with m/z 443

Triton
DCU
N,N'-Dicyclohexylurea
PEG
Cyclic oligomer of polyamide 66, (adipic acid/hexylmethylen
Polysiloxane (see m/z 445)
101 Detergents
101R Detergents
Triton
Peptide

porcine trypsin
X
X
PEG
PPG
Triton
101 Detergents
Triton
Dipalmityldimethylammonium chloride, catalyst, personal ca
PPG
nylon
Triton, reduced
PEG
Polysiloxane
PPG
Triton
Triton, reduced
DPDMA
PEG
Triton, reduced
Polysiloxane
PEG
PPG
101 Detergents
101R Detergents
trypsin-like artefact
X
X
Didodecyl 3,3-thiodipropionate, antioxidant
Stearyl-palmityldimethylammonium chloride, catalyst, person
101 Detergents
DDTDP
Didodecyl 3,3-thiodipropionate oxidized to sulfoxide, antiox
Irganox
Irganox 1076, antioxidant in synthetic polymers, antioxidant
Acetic acid-Fe-O- complex
during ESI with metal tips and acetic acid
PEG
PPG
DDTDP
Didodecyl 3,3-thiodipropionate oxidized to sulfone, antioxid
DSDMA
Distearyldimethylammonium chloride, catalyst, personal care
101 Detergents
DDTDP
Didodecyl 3,3-thiodipropionate oxidized to sulfoxide, antiox
Irganox
Irganox 1076, antioxidant in synthetic polymers, antioxidant
101R Detergents
Triton
Triton, reduced
Peptide
Triton
DDTDP
Polysiloxane
PPG
SPDMA
PEG
Triton
Polysiloxane
Triton
Triton, reduced
PEG
Triton

Triton, reduced
Triton
PPG
4-HCCA
matrix cluster, trimer
PEG
Peptide

porcine trypsin
X
X
101 Detergents
Triton
PEG
101 Detergents
PPG
101R Detergents
Triton
Polysiloxane
PPG
Triton, reduced
PEG
Polysiloxane
Triton
Triton, reduced
Triton
4-HCCA
Polysiloxane
matrix cluster, trimer, potassiated

CHAPS
3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfona
Triton
101 Detergents
PPG
Propionic acid Fe-O complex
Triton
PEG

Bovine trypsin
X
X
PEG
PPG
101 Detergents
PEG
Triton, reduced
Peptide
Triton
Triton, reduced
Peptide
101R Detergents
keratin (human), ion source fragment
X
X

Bovine trypsin
X
X
101 Detergents
Triton
Peptide
Peptide

porcine trypsin
porcine trypsin
X
X
X
PEG
PEG
PPG
nylon
Triton
101 Detergents
101R Detergents

keratin
X
X
Triton
101 Detergents
Triton
PPG
PEG
Triton
Polysiloxane
PEG
PPG
Peptide
Triton
Polysiloxane
Triton, reduced
Polysiloxane
Triton, reduced
Triton
PPG
PEG
Peptide
Triton, reduced
PEG
Polysiloxane
101 Detergents
bovine serum albumin (BSA)
X
X
101R Detergents

bovine casein alpha-S1
porcine trypsin
X
X
X
101 Detergents

porcine trypsin
X
X
101 Detergents
101R Detergents
Triton
PEG
101 Detergents

porcine trypsin, truncated
X
X

keratin (human)
X
X
Triton
Peptide
Triton, reduced
Triton
PPG
Polysiloxane
Peptide
Peptide
PEG
Triton
PPG
Triton
Polysiloxane
Peptide
PEG
Triton, reduced
PEG
Triton
PPG
Triton, reduced
Triton
PPG
Triton
Peptide
Peptide
Peptide
bovine trypsin
PEG
Peptide

keratin (human)
X
X

keratin
X
X
Tween 20
PEG
PPG
101 Detergents
101R Detergents
Triton
Peptide
Peptide
Peptide

keratin (human)
keratin (human)
X
X
X
X
PPG
Peptide

keratin (human)
X
X
Triton
101 Detergents
4-HCCA
Peptide
matrix cluster
porcine trypsin
4-HCCA
matrix cluster
Triton
Peptide

keratin (human)
X
X
PEG
Tween 20
Triton, reduced
Peptide
Tween
Triton
Triton, reduced
PEG
Triton, reduced
Tween
PPG
4-HCCA
PEG
matrix cluster
Triton
4-HCCA
Peptide
Peptide
Tween
Triton, reduced
4-HCCA
Triton
101 Detergents
matrix cluster
X
X
Tween 40
101R Detergents
matrix cluster
PPG
Peptide

porcine trypsin - methylated
X
X
4-HCCA
Peptide
Peptide
matrix cluster
keratin (human)
X
X
PEG
Peptide

keratin (human)
X
X
Triton
Peptide
101 Detergents
Angiotensin standards
X
X
Tween 80
Tween 60
Triton
PPG
Tween
PEG
Tween
Triton, reduced
Tween
Peptide
PEG
Triton
nylon
Peptide
Peptide

Tween 20
X
X
101 Detergents

bovine trypsin
porcine trypsin
X
X
X
Tween
Tween 40
101R Detergents

Angiotensin standards (bovine)
X
X
101 Detergents

Angiotensin standards (human)
X
X
Triton
Tween
Tween 80
Tween 60
Tween
Tween 20
Triton
101 Detergents

trypsin-like artefact, truncated
X
X
Tween 40
101R Detergents
Triton
Triton
101 Detergents
PPG
Peptide

keratin (human)
X
X
Triton
Peptide

bovine trypsin
X
X
Tween
Tween 80
Tween
Tween 60

Tween 20
X
X
Triton, reduced
Triton
PPG
Peptide
PEG
Triton
PPG
Peptide
PEG
Tween
Triton, reduced
PPG
Peptide
Tween
Triton, reduced
Triton, reduced
Tween
PPG
101 Detergents
matrix cluster
keratin
Tween 40
101R Detergents

keratin
keratin
X
X
X
X
Triton
Peptide
Peptide
101 Detergents
bovine trypsin
X
X
X
Triton
Peptide
Peptide

bovine trypsin
X
X
X
Tween
Tween 80
Tween
Tween 60
Tween
Peptide
Peptide
Tween 20
keratin (human)
keratin (human)
X
X
X
Triton
101 Detergents
4-HCCA
Peptide
Peptide
matrix cluster
keratin
keratin (human)
X
X
Tween 40
101R Detergents
Triton
4-HCCA
Peptide
Tween
Triton, reduced
Triton
Peptide
Peptide
Peptide
PPG
Triton, reduced
PPG
Tween
Triton, reduced
Triton
4-HCCA
Peptide
Peptide
matrix cluster
porcine trypsin
bovine trypsin
X
X
4-HCCA
matrix cluster
PPG
Triton
101 Detergents
4-HCCA
Peptide
matrix cluster, pentamer, triply potassiated

keratin (human)
PPG
Peptide
Peptide
Peptide

lysyl endopeptidase (Lys-C)
keratin (human)
keratin
X
X
X
X
matrix cluster, pentamer, potassiated, sodiated

keratin (human)
Tween 80
Tween 60
keratin (human)
X
X
Tween 20
101 Detergents
bovine trypsin, in source fragment
keratin (human)
X
X
X
Tween 40
101R Detergents

keratin (human)
porcine trypsin
X
X
X
Triton
4-HCCA
Peptide
Tween
Tween
Peptide
Triton, reduced
Tween
Triton
Peptide
Peptide
Tween
Triton, reduced
PPG
Triton
Peptide
Peptide
Triton
101 Detergents
PPG
Peptide

keratin (human)
X
X
Triton
Peptide

bovine trypsin
Tween
Tween 80
Tween
Tween 60
Tween 20
keratin (human)
keratin (human)
X
X
X
101 Detergents
porcine trypsin, methylated, truncated
Keratin
X
X
X
Tween 40
101R Detergents
Keratin
bovine trypsin
X
X
X
PPG
Peptide

bovine trypsin
X
X
Tween
Peptide
Tween 80
keratin (human)
X
X
Tween 60
Tween
Peptide
Tween 20
keratin (human)
X
X
Peptide
bovine trypsin
Tween
Peptide
Tween 40
bovine trypsin
Triton, reduced
Tween
Peptide
Peptide
PPG
Triton
Peptide
Peptide
Tween
Triton, reduced
Peptide
Peptide
Tween
PPG
X
X
Peptide
Peptide
porcine trypsin
keratin (human)
X
X
PPG
Peptide
Peptide

keratin (human)
kereatin
X
X
X
Peptide
bovine trypsin
Peptide
Peptide
porcine trypsin
keratin (human)
X
X
Tween 80
bovine trypsin
Tween 60
PPG
Peptide

X
X
Tween
Peptide
Peptide
Peptide
Tween 20
keratin (human)
keratin (human)
bovine trypsin
X
X
X
X
Tween 40
Peptide
Peptide
porcine trypsin
X
X
4-HCCA
matrix cluster, hexamer, potassiated, sodiated
CHAPS
3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfona
Peptide
Peptide
Peptide
bovine trypsin
keratin (human)
keratin (human)
X
X
X
Tween
Tween 80
Tween
Tween 60
bovine trypsin
Tween 20
Tween
Peptide
Tween
Tween
PPG
Peptide
Tween
Peptide
Peptide

keratin (human)
X
X
Tween
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Tween 40
keratin
keratin (human)
keratin (human)
keratin (human)
X
X
X
X
X
X
X
Peptide
Peptide
Peptide
keratin
keratin (human)
Angiotensin standards (bovine)
X
X
X
Tween
Tween 80
Tween
Tween 60
Tween
Peptide
Peptide
Peptide
Peptide
Peptide
Tween 20
Angiotensin standards (human)
keratin
keratin (human)
keratin (human)
X
X
X
X
X
X
Tween
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Tween 40
keratin (human)
bovine trypsin
keratin (human)
keratin
keratin (human)
X
X
X
X
X
X
X
Peptide
Peptide
keratin (human)
keratin (human)
X
X
Tween 80
Tween
Peptide
Tween
Peptide
Tween 60
keratin (human)
X
X
Tween
Peptide
Peptide
Tween 20
keratin
keratin
X
X
X
Tween
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Tween 40
keratin
keratin (human)
keratin (human)
keratin (human)
keratin (human)
keratin (human)
X
X
X
X
X
X
X
X
X
Tween 80
Tween
Peptide
Tween 60
keratin (human)
X
X
Tween
Peptide
Peptide
Peptide
Peptide
Tween 20
keratin (human)
keratin
keratin (human)
X
X
X
X
X
Tween
Peptide
Peptide
Peptide
Peptide
Peptide
Tween 40
keratin (human), ion-source fragment
keratin
keratin
keratin (human)
X
X
X
X
X
X
Tween 80
Tween
Tween
Tween
Peptide
Tween 60
porcine trypsin, methylated
X
X
Tween
Peptide
Peptide
Tween 20
bovine trypsin
keratin (human)
X
X
X
Tween
Peptide
Peptide
Peptide
Tween 40
keratin (human)
keratin
X
X
X
X
Peptide
Peptide
Peptide
Peptide

keratin (human)
bovine trypsin
keratin
X
X
X
X
Tween
Peptide
Tween 80
bovine trypsin
X
X
Tween 60
Tween 20
keratin (human)
keratin (human)
keratin
X
X
X
X
X
Tween 40
bovine trypsin
keratin (human)
porcine trypsin
keratin (human)
bovine trypsin
keratin (human)
X
X
X
X
X
X
X
Tween 80
Tween
Tween
Peptide
Peptide
Peptide
Peptide
Tween
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Tween
Tween
Tween 60
Tween
Peptide
Tween 20
bovine trypsin
X
X
Peptide
bovine trypsin
Tween 40
keratin
Tween
Tween 80
Tween
Tween 60
Tween
Peptide
Peptide
Tween 20
X
X
X
Tween
Peptide
Tween 40
keratin (human)
X
X
Tween
Tween 80
Tween
Peptide
Tween 60
keratin
X
X
Tween
Tween 20
Tween
Peptide
Peptide
Tween 40
keratin (human)
X
X
X
Tween
Peptide
Tween 80
X
X
Tween 60
Tween
Peptide
Tween 20
keratin (human)
X
X
Tween
Peptide
Peptide
Tween 40
keratin (human)
bovine trypsin
X
X
X
Tween
Tween 80
Tween
Tween 60
Tween
Peptide
Tween
Peptide
keratin (human)
Tween 20
Tween 40
keratin (human)
keratin (human)
keratin (human)
bovine trypsin
X
X
X
X
X
X
Tween
Tween 80
Tween
Tween 60
Tween
Peptide
Tween 20
keratin (human)
X
X
Tween
Peptide
Tween 40
bovine trypsin
X
X
Peptide
keratin (human)
Tween 80
Tween 60
bovine trypsin
porcine trypsin
X
X
X
Tween 20
Tween 40
keratin (human)
keratin
keratin
X
X
X
X
Tween 80
Tween
Peptide
Tween 60
X
X
Tween
Peptide
Peptide
Tween 40
keratin
keratin (human)
X
X
X
Tween
Tween
Peptide
Peptide
Peptide
Peptide
Peptide
Tween
Tween
Peptide
Peptide
Tween
Tween
Peptide
Peptide
Peptide
Tween
Peptide
Peptide
keratin
keratin
X
X
Tween 80
Tween
Peptide
Peptide
Peptide
Peptide
Tween 60
porcine trypsin, truncated, methylated
keratin (human)
keratin (human)
X
X
X
X
X
Peptide
Peptide

keratin (human)
X
X
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
keratin
keratin
keratin (human)
bovine trypsin
keratin
keratin
bovine trypsin
bovine trypsin
bovine trypsin
bovine trypsin
X
X
X
X
X
X
X
X
X
X
X
X
Peptide
bovine trypsin
Peptide
Peptide
Peptide
bovine trypsin
porcine trypsin
porcine trypsin
X
X
X
Peptide
Peptide
Peptide
bovine trypsin, ion source fragment

porcine trypsin
keratin
X
X
X
Tween
Peptide
bovine trypsin
Peptide
Peptide
Peptide
Peptide
Peptide
bovine trypsin
bovine trypsin
bovine trypsin
porcine trypsin
keratin (human)
X
X
X
X
X
Peptide
Peptide
Peptide
bovine trypsin
bovine trypsin
X
X
X
Peptide
bovine trypsin
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
bovine trypsin
bovine trypsin
keratin
bovine trypsin
bovine trypsin
keratin (human)
bovine trypsin
keratin (human)
bovine trypsin
keratin (human)
keratin (human)
keratin (human)
bovine trypsin
X
X
X
X
X
X
X
X
X
X
X
X
X
Peptide
Peptide
Peptide
Peptide
Peptide
Peptide
bovine trypsin
bovine trypsin
bovine trypsin
keratin
keratin (human)
X
X
X
X
X
X
Peptide
keratin
Peptide
Peptide
Peptide
bovine trypsin
bovine trypsin
bovine trypsin
X
X
X
Peptide
bovine trypsin
Peptide
Peptide
Peptide
Peptide
bovine trypsin
keratin
X
X
X
X
Peptide
bovine trypsin
Peptide
Peptide
Peptide
Peptide
Peptide
keratin
keratin
keratin
X
X
X
X
X
Peptide
Peptide
Peptide
Peptide
Peptide
keratin
keratin (human)
bovine trypsin
keratin
X
X
X
X
X
Peptide
Peptide
Peptide
Peptide
bovine trypsin
keratin (human)
X
X
X
X
Peptide
References
MALDI
A
A
A, F
D, K
A, F
A
A, C, F
K
D, K
A
A, C
D, K
A
A, C
C
D, K
K
D, K
A, C
K
K
A, C
A,C
K
A,C
A, C
D, K
D, K
A
A
A
K
A, C
K
D, K
A
V
K
D, K
A, F
A
A, C
A, C
D, K
A, C
A, C
K
A, Z
A, C
D, K
A, C
K
A, C
D, K
A, C
A
Q
K
A
A
H, I, J
X
D, K
D, K
A, C
K
K
K
K
A
D, K
H, I, J
D, K
A
D, K
K
K
H, I, J
A, K
D, K
D, K
K
A
H, I, J
X
D, K
A
D, K
A
D, K
A
A
A, C
A
K
D, K
D, K
A
D, K
D, K
A
A
D, K
D, K
D, K
A
A, C
D, K
A
O
D, K
A
D, K
A
D, K
D, K
D, K
A
D, K
A
D, K
A
D, K
D, K
X
A
D, K
D, K
D, K
Q
X
D, K
D, K
D, K
A
D, K
A
D, K
D, K
D, K
D, K
A, C, L
O
A
D, K
D, K
D, K
D, K
O
A, C., E, L
D, K
N, X
X
D, K
H, I, J
X
D, K
D, K
A, C, L
D, K
A, C, E
D, K
D, K
D, K
D, K
D, K
D, K
A, C, E
D, K
D, K
D, K
D, K
D, K
A, C
D, K
D, K
A, C, E, L
D, K
D, K
A, C
D, K
D, K
D, K
A, L
D, K
D, K
D, K
D, K
X
X
G
D, K
D, K
D, K
D, K
O, K
D, K
D, K
A, L
D, K
D, K
D, K
D, K
X
X
E
D, K
A, L
D, K
O, K
D, K
D, K
A, L
D, K
A, B, E, Y
D, K
D, K
D, K
D, K
A, K, O
D, K
A, W
A, W
A, B, E, Y
D, K
D, K
D, K
H, I, J
D, K
X
X
G
D, K
D, K
D, K
D, K
D, K
D, K
A, L
D, K
B, E, Y
D, K
D, K
D, K
H, I, J
D, K
D, K
D, K
Y
D, K
D, K
D, K
X
X
K
D, K
D, K
D, K
D, K
X
X
G, K
D, K
D, K
D, K
X
X
K
D, K
D, K
X
X
X
K
K
D, K
D, K
D, K
D, K
D, K
D, K
D, K
D, K
D, K
X
X
E
D, K
D, K
D, K
D, K
D, K
D, K
D, K
X
X
E
D, K
D, K
D, K
X
X
X
E
G
D, K
D, K
D, K
D, K
X
X
G
D, K
D, K
D, K
D, K
D, K
D, K
D, K
D, K
D, K
D, K
A, C, E
D, K
X
X
E
A, C, E
X
X
G
G, K
D, K
X
X
G, K
D, K
X
X
E
D, K
D, K
D, K
D, K
A, K
D, K
D, K
X
X
X
X
E
E, G, K
G, K
D, K
X
X
G, K
D, K
D, K
H, I, J
X
X
E, G, K
H, I, J
D, K
X
X
G, K
D, K
D, K
D, K
D, K
H, I, J
D, K
D, K
H, I, J
X
X
X
G, K
G, K
D, K
D, K
H, I, J
D, K
D, K
X
X
J
H, I, J
X
X
X
E
E, G, K
D, K
X
X
G, K
D, K
X
X
E
D, K
D, K
D, K
D, K
D, K
D, K
D, K
X
X
E
D, K
D, K
X
X
X
G, K
G, K
D, K
D, K
D, K
D, K
X
X
E
D, K
D, K
D, K
X
X
E
D, K
D, K
D, K
D, K
D, K
D, K
D, K
D, K
X
X
E
D, K
D, K
D, K
D, K
D, K
X
X
E, G, K
D, K
X
X
G, K
D, K
D, K
D, K
X
X
D, K
D, K
D, K
H, I, J
X
X
E
D, K
D, K
D, K
X
X
X
X
E
E
E
D, K
D, K
X
X
X
G, K
E
D, K
X
X
X
E
G, K
D, K
D, K
D, K
D, K
D, K
X
X
X
E, G, K
E, G, K
D, K
H, I, J
X
X
X
E
G, K
D, K
D, K
D, K
D, K
H, I, J
X
X
X
G, K
G, K
H, I, J
D, K
H, I, J
X
X
E, G, K
D, K
X
X
X
X
E
G, K
E
D, K
H, I, J
X
X
G, K
D, K
D, K
X
X
G, K
D, K
D, K
D, K
X
X
X
G, K
G, K
D, K
D, K
D, K
D, K
X
X
X
G, K
G, K
D, K
D, K
X
X
G, K
D, K
X
X
G, K
D, K
D, K
D, K
D, K
X
X
X
G, K
G, K
D, K
D, K
X
X
X
E, J
E
D, K
D, K
X
X
X
E
G, K
D, K
X
X
G, K
D, K
X
X
G, K
D, K
D, K
D, K
X
X
E, G, K
G, K
D, K
X
X
J
E, G, K
X
X
E, G, K
D, K
X
X
X
G, K
E
J
E, G, K
X
X
G, K
D, K
G, K
D, K
D, K
X
X
E
D, K
X
X
X
X
G,
G,
G,
D,
D, K
X
X
G, K
H, I, J
X
X
X
G, K
G, K
D, K
D, K
D, K
K
K
K
K
X
X
G, K
D, K
X
X
X
X
X
X
X
E
E
G, K
E
G, K
E, G, K
E
X
X
X
G, K
E
D, K
D, K
D, K
X
X
X
X
X
X
E
E
G, K
E, G, K
E
D, K
X
X
X
X
X
X
X
E, G, K
G, K
G, K
E
E
G, K
G, K
X
X
G, K
D, K
D, K
X
X
G, K
D, K
X
X
X
E
E
D, K
X
X
X
X
X
X
X
X
X
E
E, G, K
G, K
G, K
E
E
E, G, K
G
D, K
D, K
X
X
E, G
D, K
X
X
X
X
X
E, G
E
E
E, G
D, K
X
X
X
X
X
X
E
G, K
E
E
G
D, K
D, K
X
X
J
D, K
X
X
X
G
G
D, K
X
X
X
X
G
E
E
E
X
X
X
X
G
G
E
D, K
X
X
G
D, K
D, K
X
X
X
X
X
E, G
E, G
E
E
D, K
X
X
X
X
X
X
X
G
E
J
E, G
G
G
D, K
D, K
D, K
X
X
G
G
D, K
D, K
D, K
D, K
X
X
X
E, G
E
D, K
X
X
E, G
D, K
D, K
X
X
E
D, K
D, K
X
X
X
J
G
D, K
X
X
E
D, K
D, K
X
X
E, G
D, K
X
X
X
G
J
D, K
D, K
D, K
D, K
X
X
X
X
X
X
E, G
G
E, G
E, G
G
D, K
D, K
D, K
X
X
G
D, K
X
X
G
E, G
D, K
D, K
X
X
X
J
G
D, K
D, K
X
X
X
X
E, G
E
E
D, K
D, K
X
X
E
D, K
X
X
X
E
G
E
X
X
E
D, K
D, K
X
X
X
X
X
E, J
J
E, K
G
J
X
X
G
E
X
X
X
X
X
X
X
X
X
X
X
X
E
E
K
E
G
E
E
G, K
J
G, K
G, K
J
G, K
X
X
X
G, K
G, K
G, K
X
X
X
G, K
E
G
X
X
X
X
X
G, K
G, K
G, K
G
G, K
X
X
X
G, K
J
G, K
G, K
X
X
X
X
X
X
X
X
X
X
X
X
X
G, K
E
G, K
G, K
G
G, K
G
G, K
G
G
E, G
G, K
G, K
X
X
X
X
X
X
J
J
J
E
G
E
X
X
X
J
J
J
X
X
X
X
E
J
J
J
X
X
X
X
X
J
J
E
E
E
X
X
X
X
X
J
G
J
E
J
X
X
X
X
G
E
J
E
LCMS-IT-TOF tool set for identifying interferences/contam
Supplementary Data:
Keller, B.O.; Sui, J.; Young, A.B.; Whittal, R.M. Interferences, contaminants and their potential use as calibrants in modern mass spectromet
Analytica Chimica Acta (Special Issue on Mass Spectrometry), 2008.
List of potential interference- or contaminant ions in modern mass spectrometry, negative
Monoisotopic ion mass

(singly charged)
26.00362
44.99820
59.01385
78.95906
79.95737
94.98084
96.96011
96.96962
112.98559
112.98563
126.90502
162.98240
212.07507
226.97845
248.96040
255.23295
281.24860
283.26425
316.73910
318.73729
Ion type
f[M-H][M-H][M-H3O][M-H2O][M-H][M-H][M-H][M-H][M2+Na-2H]A
[M-H][M-H][M2-H][M2+Na-2H]-
[M-H][M-H][M-H]63
[ CuI+I][65CuI+I]-
Formula for M or subunit

or sequence
CN
HCOOH
CH3COOH
H3PO4
H2SO4
CH3SO3H
H2SO4
H3PO4
CF3COOH
HCOOH
I
CF3CF2COOH
C10H15NO2S
CF3COOH
CF3COOH
C16H32O2
C18H34O2
C18H36O2
CuI
CuI
ng interferences/contaminants
eir potential use as calibrants in modern mass spectrometry.
n modern mass spectrometry, negative mode
Possible origin and other comments

Fragment from acetonitrile
Formic acid, FA (anion)
Acetic Acid, Ac (anion)
Phosphoric acid (phosphate, anion) also from oligonucleotides or phosphopeptides
Sulfuric acid (sulfate, anion) also from other sulfated materials
Methanesulfuric acid (methanesulfonate, anion)
Sulfuric acid (sulfate, anion)
Phosphoric acid (phosphate, anion) also from oligonucleotides or phosphopeptides
Trifluoroacetic acid, TFA (anion)
Formic acid, dimer, FA (anion)
Iodine anion (Iodide)
Pentafluoropropionic acid, Perfluoropropionic acid
n-butyl benzenesulfonamide
Trifluoroacetic acid, TFA (anion)
Trifluoroacetic acid, TFA, sodiated (anion)
Palmitic acid (carboxylate anion) C16:0
Oleic acid (carboxylate anion) C18:1
Stearic acid (carboxylate anion) 18:0
Copper catalyst iodide adduct
Copper catalyst iodide adduct
References
F
F
F
F
F
F
F
F
F
F
V
E
A, K
A
A
K
K
K
K
K
LCMS-IT-TOF tool set +repeating units

Positive ion
Mass difference
14.01565
15.99492
18.01057
28.03130
32.02622
41.02655
42.04695
44.02622
49.99681
53.00323
56.06260
57.95862
58.04187
63.03203
67.98742
67.98742
72.03953
73.93256
74.01879
78.01394
82.00307
84.05159
106.90509
108.90476
135.97481
162.05283
226.16813
259.80992
Negative ion
Mass difference
14.01565
15.99492
18.01057
28.03130
49.99681
67.98742
74.01879
82.00307
113.99286
121.93828
135.97481
288.13713
TOF tool set +repeating units

Origin
-[CH2]-, alkane chains, waxes, fatty acids, methylation
O, oxidation
H2O, water clusters

-[C2H4]-, natural alkane chains such as fatty acids
CH3OH, methanol clusters
CH3CN, acetonitrile clusters
-[C3H6]-, propyl repeating units, propylation
-[C2H4O]-; polyethylene glycol, PEG, and related components such as Tritons and Tween buffers
-[CF2]-, from perfluoro compounds
NH4Cl salt adducts/clusters
-[C4H8]-, butyl repeating units, butylation
NaCl, sodium chloride clusters
-[C3H6O]-; polypropylene glycol and related compounds, PPG, and related compounds
CHOONH4, ammonium formate adducts/clusters
NaHCO2, sodium formate clusters
CHOONa, sodium formate adducts/clusters
-OH replacement with -OSi(CH3)3,(=[C3H8Si]), trimethylsiloxane, endcapping reagent
KCl adducts/clusters
-[O-Si(CH3)2]-, polysiloxane, silicone rubber polymer (typical series at m/z's 355, 429, 503, 593, 667, 7
C2H6OS, DMSO adducts/clusters, dimethylsulfoxide solvent
NaCH3CO2, sodium acetate clusters
C2D6OS, deuterated DMSO adducts/clusters, NMR solvent
Ag, silver clusters in MALDI analysis of non-polar polymers, together with 109Ag (~1:1)
109
Ag, silver clusters in MALDI analysis of non-polar polymers, togethre with 107Ag ( ~1:1)
NaCF3CO2, sodium trifluoroacetate clusters
-[C6H10O5]-, polysaccharides residues
-[C12H22N2O2]-, cyclic oligomers from polyamide 66 (series observed with m/z 453, 679, 905)
107
CsI, cesium iodide clusters, used as calibration
-[CH2]-, alkane chains, waxes, fatty acids, methylation

O, oxidation
H2O, water clusters
-[C2H4]-, natural alkane chains such as fatty acids
-[CF2]-, from perfluoro compounds
NaHCO2, sodium formate clusters
-[O-Si(CH3)2]-, polysiloxane, silicone rubber polymer
Origin
NaCH3CO2, sodium acetate clusters

CF3COOH, trifluoroacetic acid, TFA adducts/clusters
NaClO4, sodium perchlorate adducts/clusters
NaCF3CO2, sodium trifluoroacetate clusters
C12H25SO4Na, sodium dodecylsulfate (SDS), adducts/clusters
Reference(s)
F
F
F
F
F
F
F
D, F
F
F
F
F
D, F
F
F
F
F
F
F, E, L
F
F
F
U
U
F
F
M
V
Reference(s)
F
F
F
F
F
F
F
F
F
F, E
F
F
LCMS-IT-TOF tool set + Adducts, losses and replacemen
Mass difference
0.98402
1.99566
2.01565
4.95540
7.00467
8.96578
13.97927
14.01565
14.01565
15.97394
15.97716
15.99492
17.02655
17.02655
17.96611
17.99058
18.01057
18.99458
20.92933
21.98194
24.99525
27.01090
27.99492
28.00615
28.03130
29.97418
29.99799
31.97207
31.98983
33.02146
33.96103
33.98772
37.95588
37.98916
40.03130
42.01057
42.04695
43.00581
43.94948
43.98983
45.94744
47.96699
52.91526
54.91322
56.06260
58.00548
58.04187
61.91560
63.91355
63.96190
63.99829
77.91051
79.90847
79.95682
91.93562
97.96738
97.97690
100.90140
109.90173
125.89665
146.05791
162.05283
164.06848
176.03209
180.06339
194.04266
203.07937
206.05791
221.08994
289.07324
291.09542
305.06816
307.08381
309.10598
324.10565
342.11622
484.17101
546.18666
TOF tool set + Adducts, losses and replacements
Origin
OH NH2, e.g. de-amidiation, CHNO compounds
F OH, halogen exchange with hydroxy group (typically -F + OH)

2H, opening or forming of double bond
Na+ NH4+, salt adduct
F CN, halogen exchange with cyano group
Cl CN, halogen exchange with cyano group
O 2H, e.g. Oxidation follwed by H 2O elimination
CH2, alkane chains, waxes, fatty acids, methylation
-[C3H6ON] -[C2H4ON], acrylamide versus iodoacetamide in cysteine alkylation (gels)
Na+ K+, salt adduct
S O, sulfur compounds
O, e.g. oxidation/reduction
NH3, ammonium adduct/neutral ammonium loss
NH4+ H+, salt adduct
Cl OH, halogen exchange with hydroxy group (typically -Cl + OH)
F H, halogen exchange
H2O, water addition/loss
CN COOH, nitrile compounds
K+ NH4+, salt adduct
Na+ H+, salt adduct
CN H, nitrile compounds
HCN, nitrile compounds
CO
- 2N, nitrogen loss, e.g. azido compounds (N 2)
C2H4, natural alkane chains such as fatty acids
NO2 NH2, nitro compounds
-NO, nitroso compounds
S, sulfur compounds
2O, oxygen loss
- NH2OH, loss from hydroxamic acids
Cl H, halogen exchange
H2S, sulfur compounds
K+ H+, salt adduct
2CN 2COOH, nitrile compounds
+(C3H6O - H2O), acetone condensation after dehydration
COCH2
C3H6, propylation
CONH (wrong calc. in ref.)
79
Br Cl, halogen exchange (typically -Br +Cl)
CO2
Br Cl, halogen exchange (typically -Br +Cl)
SO, sulfur compounds
79
Br CN, halogen exchange with cyano group
81
Br CN, halogen exchange with cyano group
C4H8, butylation
CO2CH2
+C3H6O, acetone condensation
81
Br OH, halogen exchange with hydroxy group (typically -Br + OH)

Br OH, halogen exchange with hydroxy group (typically -Br + OH)
SO2, sulfur compounds
-CH3SOH, specific loss from singly oxidized methionine residues
79
81
Br H, halogen exchange
Br H, halogen exchange
SO3, sulfur compounds
79
81
I Cl, halogen exchange (typically -I +Cl)

H2SO4, sulfur compounds
H3PO4, phosphorous compounds
I CN, halogen exchange with cyano group

I OH, halogen exchange with hydroxy group (typically -I + OH)
I H, halogen exchange
[Deoxy-Hexose-H2O, C6O4H10], e.g. Fucose
[Hexose-H2O, C6O5H10], e.g. Glucose, Galactose, Mannose, Fructose
[Deoxy-Hexose-H2O, C6O5H12], e.g. Fucose
[Glucuronic acid-H2O, C6O6H8]
[Hexose, C6O6H12], e.g. Glucose, Galactose, Mannose, Fructose
[Glucuronic acid, C6O7H10]
[HexNAc-H2O, C8O5NH13], N-acetylhexoseamine
+ sinapic acid - H2O, (C11H12O5-H2O), MALDI-matrix for proteins, possible photo- or condensation addu
[HexNAc, C8O6NH15], N-acetylhexoseamine
[Glutathione-H2O, C10O5N3SH15]
[Neu5Ac-H2O, C11O8NH17], N-acetylneuraminic acid, sialic acid, NANA
[Glutathione+O-H2O, C10O6N3SH15]
[Glutathione, C10O6N3SH17]
[Neu5Ac, C11O9NH19], N-acetylneuraminic acid, sialic acid, NANA
[Sucrose-H2O, C12O10H20]
[Sucrose, C12O11H22]
+Tetraphenyl-tetramethyl-trisiloxane, (C28H32O2Si3), ( from silicon-based diffusion pump oil (DC7040, D
+Pentaphenyl-trimethyl-trisiloxane, (C33H34O2Si3), ( from silicon-based diffusion pump oil (DC7050, Do
Reference(s)
F
F
F
F
F
F
F
F
T
F
F
F
F
F
F
F
F
F
F
F
F
F
Z
Z
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
F
T
F
F
F
F
F
F
F
F
F
S
F
S
F
F
F
S
R
S
F
S
F
F
S
F
F
P
Formula verifcation tool

Element
Abbr.
Carbon-12
Carbon-13
Hydrogen
Deuterium
Oxygen
Oxygen-18
Nitrogen-14
Nitrogen-15
Sulfur-32
Sulfur-34
Phosphorus
Silicium
Sodium
Potassium
Chlorine-35
Chlorine-37
Bromine-79
Bromine 81
Iodine
Fluorine
Iron-54
Iron-56
Lithium-6
Lithium-7
Boron-10
Boron-11
Copper-63
Copper-65
Silver-107
Silver-109
Tin-120
Cesium
C-12
C-13
H
D
O
O-18
N-14
N-15
S-32
S-34
P
Si
Na
K
Cl-35
Cl-37
Br-79
Br-81
Iodine
F
Fe-54
Fe-56
Li-6
Li-7
B-10
B-11
Cu-63
Cu-65
Ag-107
Ag-109
Sn-120
Cs-133
Proton
Electron
H+
e-
monoisotopic mass
(exact)
Measured value
atomic masses *)
12.000000
13.003355
1.007825
2.014101
15.994915
17.999160
14.003074
15.000109
31.972071
33.967867
30.973762
27.976927
22.989769
38.963706
34.968853
36.965903
78.918337
80.916291
126.904473
18.998403
53.939611
55.934938
6.015123
7.016005
10.012937
11.009305
62.929601
64.927794
106.905094
108.904756
119.902199
132.905450
1.007276
0.000549
180.063390
180.063300
Mass error in mDa
0.090000
Mass error in ppm
0.499824
*) atomic masses adopted from the National Institute of Standarts and Technology (NIST)
(http://physics.nist.gov/PhysRefData/Compositions/index.html)
Enter # of atoms
6
0
12
0
6
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
(theoretical)
Abbr.
C-12
C-13
H
D
O
O-18
N-14
N-15
S-32
S-34
P
Si
Na
K
Cl-35
Cl-37
Br-79
Br-81
Iodine
F
Fe-54
Fe-56
Li-6
Li-7
B-10
B-11
Cu-63
Cu-65
Ag-107
Ag-109
Sn-120
Cs-133
H+
e-
f Standarts and Technology (NIST)
LCMS-IT-TOF tool set + solvent ions

Solvents
Abbreviation
Formula
Acetic acid
Acetone
Acetonitrile
Benzene
Butanone (2-)
Carbondisulfide
Chloroform
Dibutylphthalate (Phthalic acid dibutyl ester)
Dichloromethane
Diethylenglycoldimethylether (Diglyme)
Diethylether
Diisopropylether
Dimethoxyethane (1,2 -) = Glykoldimethylether
Dimethylformamide
Dimethylsulfoxide
Dioxan (1,4-)
Ethanol
Ethylacetate (Acetic acid ethyl ester)
Formic acid
Glycerol
Hexamethyl-phosphoric acid triamide
Hexane
Isopropanol (2-propanol)
Jonol (2,6-Di-(tert-butyl)-4-methylphenol) stab.
Methanol
Propanol
Pyridine
Sulfur
Tetrachlorocarbon
Tetrachloroethylene
Tetrahydrofuran
Tetramethylsilane
Toluene
Trichloroethylene
Trifluoroacetic acid
Triethylamine
Tripropylamine
Xylene
ACN
DCM
DME
DMF
DMSO
EtOH
EtAc
HMPA
MeOH
THF
TMS
TFA
TEA
TPA
-
C2 H 4 O 2
C3 H 6 O
C2 H 3 N
C6 H 6
C4 H 8 O
CS2
CHCl3
C16H22O4
CH2Cl2
C6H14O3
C4H10O
C6H14O
C4H10O2
C3H7NO
C2H6OS
C4 H 8 O 2
C2 H 6 O
C4 H 8 O 2
CH2O2
C3 H 8 O 3
C6H18N3OP
C6H14
C3 H 8 O
C15H24O
CH4O
C3 H 8 O
C5 H 5 N
S8
CCl4
C2Cl4
C4 H 8 O
C4H12Si
C7 H 8
C2HCl3
C2F3O2H
C6H15N
C9H21N
C8H10
M.W.
60.0
58.0
41.0
78.0
72.1
75.9
117.9
278.2
83.9
134.1
74.1
102.1
90.1
73.1
78.0
88.1
46.0
88.1
46.0
92.0
179.1
86.1
60.1
220.2
32.0
60.1
79.0
255.8
151.9
163.9
72.1
88.1
92.1
129.9
114.0
101.1
143.2
106.1
M.W.
deuterated
64.0
64.0
44.0
84.0
80.1
75.9
118.9
86.0
148.2
84.1
116.2
100.1
80.1
84.1
96.1
52.1
96.1
48.0
197.2
100.2
68.1
36.0
68.1
84.1
255.8
151.9
163.9
80.1
100.1
130.9
115.0
116.1
LCMS-IT-TOF tool set +references

Ref
Label
Author(s)
Waters Corporation
Applied Biosystems
New Objective
Sigma-Aldrich
E
F
Thermo Corporation, Mahn, B.

Tong, H.;Bell, D.; Tabei, K.; Siegel, M.M.
Andersen, J.S.; Kuester, B.; Podtelejnikov, A.;
Mortz, E.; Mann, M.
Keller, B.O.; Li, L.
Keller, B.O.; Li, L.; Keller, H.
Harris,W.A.; Janecki, D.J.; Reilly, J.P.
Keller, B.O.; Sui., J; Young, A.B.; Whittal, R.M..
L
M
N
O
P
Q
R
Schlosser, A.; Volkmer-Engert, R.

Tran, J.C.; Doucette, A.A.
Verge, K.M.; Agnes, G.R.
Paez, A.; Howe, A.
Purves, R.W.; Gabryelski, W.; Li, L.
Gibson, C.R.; Brown, C.M.
Beavis,R. C.; Chait,B. T.
Guzzetta, A.
Clauser, K.R.; Hall, S.C.; Smith, D.M.; Webb, J.W.;

Andrews, L.E.; Tran, H.M.; Epstein, L.B;
Burlingame, A.L.
Macha,S.F.; Limbach,P.A.; Hanton,S.D.; Owens,K.G.
Pleasance,S.; Thibault,P.; Sim,P.G.; Boyd,R.K.

Xia,Y.-Q.; Patel,S.; Bakhtiar,R.; Franklin,R.B.;
Doss,G.A.
Guo,X.; Bruins,A.P.; Covey,T.R.
Ijames, C.F.; Dutky, R.C.; Fales, H.M.
Hesse, M.; Meier, H.; Zeeh, B.
W
X
Y
Z
rences
Citation or Website/Download Information
Background Ion List online available at: www2.waters.com/CEConversion.nsf/files/3929E3EC20E43AAA8525710D004AB62E/$file/bkgrn

Appendix D: Commonly Observed Background Ions: Mariner Biospectrometry's Workstation Users Guide
Technical Note: Common Background Ions for Electrospray, online available at:
http://www.newob
Chemical Formulas for Tween, Triton, and reduced Triton were adopted from the Sigma-Aldrich catalogue available online at: http://ww
List of LC/MS contaminants online available at: www.abrf.org/index.cfm/list.msg/66994
J. Am. Soc. Mass Spectrom., 10 (1999) 1174.
Proc. 47th ASMS Conf. Mass Spectrom. Allied Topics, 1999, Dallas,TX, USA.,
Program to predict and confirm matrix clusters masses, online available at: www.chem.ualberta.ca/~liweb/links/MaClust.htm
Rapid Commun. Mass Spectrom., 16 (2002) 1714.
unpublished results;
www.chem.ualberta.ca/~massspec/es_ions.pdf (R.M. Whittal)
J. Mass Spectrom., 38 (2003) 523.
Canadian Chemical News, 56 (2004) 14.
Rev. Sci. Instrument, 68 (1997) 3252.
J. Am. Soc. Mass spectrom., 14 (2003) 14.
Anal. Chem., 62 (1990) 1836.
www.ionsource.com; Carbohydrate marker ions
ESI back
Proc. Natl. Acad. Sci. U.S.A., 92 (1995) 5072., and http://prospector.ucsf.edu

J. Am. Soc. Mass Spectrom., 12 (2001), 732.
Spektroskopische Methoden in der organischen Chemie, Georg Thieme Verlag, Stuttgart, 3. Aufl. 1987, ISBN: 3-13-576103-7
LCMS-IT-TOF tool set + glossary

Type of ions:
f+
[f+H]+
[M+H]+
[M+Na]+
[M+K]+
+
[M2+H] , [M3+H]+ etc...
[AnBm+H]+
Abbreviations
4-HCCA
2,5-DHB
MeCN, ACN
MeOH
MeNO2
HABA
SA
PEG
PPG
XaaCcamXaa
XaaMoxXaa
tool set + glossary

Explanation
fragment ion
protonated fragment ion, e.g. in-source fragmentation of peptide ions
protonated molecular ion (pseudomolecular ion)
sodiated molecular ion
potassiated molecular ion
protonated dimeric, trimeric, etc... molecular ion
protonated moleuclar ion consisting of n A and m B subunits
Explanation
-cyano-4-hydroxycinnamic acid, common matrix substance for MALDI MS analysis
2,5-Dihydroxy benzoic acid, common matrix substance for MALDI MS analysis
acetonitrile, solvent
methanol, solvent
nitromethane, solvent
2-(4-hydroxyphenyl-azo)-benzoic acid, matrix substance for MALDI MS analysis
sinapic or sinapinic acid, common matrix substance for MALDI MS analysis
Polyethylene glycol, Repeat unit: -[O-CH 2-CH2-]-; 44 Da
Polypropylene glycol, Repeat unit: -[O-C(CH 3)H-CH2-]-; 58 Da
carbamidomethylated cysteine residue (+ICH2CONH2 - HI), +57Da
singly oxidized methionine residue (+O, 16 Da)

Common Background Contaminant Ions and Adducts

Uploaded by

Document Information

Original Description:

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

Common Background Contaminant Ions and Adducts

Uploaded by

Copyright:

Available Formats

LCMS-IT-TOF tool set for identifying interferences/contaminants

Monoisotopic ion mass

Formula for M or subunit or sequence

GLTAER (from YLDGLTAER)

SFLINNR (from THNLEPYFESFINNLR)

VATVSLPR N-term. methylated

GNEQFISASK (from LGEDNINVVEGNEQFISASK)

LQGIVSWGSGCAQK (W - oxid. II)

IVGGYTCGANTVPY & CLK via S-S bond

SGYHFCGGSLINSQWVVSAAHCYK, -S-S- bond

Possible origin and other comments

Polyethylene glycol, ubiquitous polyether

Polypropylene glycol, ubiquitous polyether

Polyethylene glycol, ubiquitous polyether

Polypropylene glycol, ubiquitous polyether

N-methyl 2-pyrrolidone; solvent, floor stripper

Polyethylene glycol, ubiquitous polyether

Polyethylene glycol, ubiquitous polyether

Polypropylene glycol, ubiquitous polyether

Polyethylene glycol, ubiquitous polyether

Polypropylene glycol, ubiquitous polyether

Acetonitrile, solvent, together with m/z 147

Polyethylene glycol, ubiquitous polyether

Acetonitrile, solvent, together with m/z 145

fragment ion originating from phthalate esters

Polyethylene glycol, ubiquitous polyether

Polypropylene glycol, ubiquitous polyether

Sodium trifluoroacetate, salt

Phthalate esters, plasticizer

Diethylene glycol monobutyl ether, cpd. In scintillation cockt

from phthalate esters, plasticizer

Polypropylene glycol, ubiquitous polyether

Polyethylene glycol, ubiquitous polyether

Butylated hydroxyanisole, antioxidant additives

Polyethylene glycol, ubiquitous polyether

Phthalate esters, plasticizer

Polyethylene glycol, ubiquitous polyether

Butylated hydroxyanisole, antioxidant additives

matrix compound, sodiated

Polypropylene glycol, ubiquitous polyether

Polyethylene glycol, ubiquitous polyether

Butylated hydroxytoluene, Antioxidant

matrix compound, potassiated

n-butyl benzenesulfonamide, plasticizer

Polyethylene glycol, ubiquitous polyether

n-butyl benzenesulfonamide, plasticizer

Polyethylene glycol, ubiquitous polyether

Trityl cation, [Ph3C]+

Butylated hytroxytoluene, Antioxidant additives

Polypropylene glycol, ubiquitous polyether

X-100, X-114, X-405, or X-45 Detergents

Polyethylene glycol, ubiquitous polyether

Polypropylene glycol, ubiquitous polyether

X-100, X-114, X-405, or X-45 Detergents

Polyethylene glycol, ubiquitous polyether

Plasticiser, phtalate ester

X-100R, X-114R, X-405R, or X-45R Detergents

Polysiloxane, (neutral methane loss from m/z 297)

Slip agent in polyethylene films

Polyethylene glycol, ubiquitous polyether

Slip agent in polyethylene films

n,n-bis(2-hydroxyethyl) dodecanamide, anti-static agent

Polypropylene glycol, ubiquitous polyether