Quantitation of Permethylated N-Glycans Through Multiple Reaction Monitoring (MRM) LC-MS/MS

Keywords: Glycans, Permethylation, MRM-LC-MS, LC-MSMS,Quantitation.

Figure S1

Figure S1 Comparison of N-glycans intensities derived from RNase B with one (blue trace), two (red trace) and three transitions (black trace). Symbols: N-acetyl glucosamine ; mannose .

Figure S2

Figure S2Relative intensities of N-glycans derived from HBS acquired at various normalized collision energies. Error bars represent the standard deviations of three measurements. Symbols: Symbols: Fucose ; N-acetyl glucosamine ; mannose ; galactose ; sialic acid

Table S1.Transitions used for the quantitation of permethylated N-glycans detected in model glycoproteins, pooled human blood serum and MDA-MB-231-BR, MDA-MB-231 cell lines.

Symbols: Fucose ; N-acetyl glucosamine ; mannose ; galactose ; sialic acid

Structures / m/z
(charge) / Transitions
High Mannose N-glycans
*e,f / 1164.625
(+1) /
0,2X
111 /
BZ0,2X
230 /
B0,2X
262
*d,e,f / 1368.725
(+1) /
0,2X
111 /
BZ0,2X
230 /
B0,2X
262
*a,b,d,e,f / 795.933
(+2) /
0,2X
111 /
BZ0,2X
230 /
B0,2X
262
*a,b,d,e,f / 897.983
(+2) /
0,2X
111 /
BZ0,2X
230 /
B0,2X
262
*a,b,d,e,f / 1000.033
(+2) /
BZ0,2X
230 /
B0,2X
262 /
C2,5X
294
*a,b,d,e,f / 1102.083
(+2) /
BZ
187 /
B0,2X
262 /
C2,5X
294
*a,b,d,e,f / 1204.133
(+2) / BZ
187 /
B0,2X
262 /
C2,5X
294
Structures / m/z
(charge) / Transitions
Structures / m/z
(charge) / Transitions
*d,e,f / 1306.182
(+2) /
BZ
187 /
B0,2X
262 /
C2,5X
294
Complex N-glycans
d,f / 705.883
(+2) /
0,2X
111 /
BZZ
196 /
B
260
*d,e,f / 828.446
(+2) /
BZZ
196 /
BZ
228 /
B
260
*b,d,f / 930.496
(+2) /
BZZ
196 /
BZ
228 /
B
260
*d / 951.009
(+2) /
BZZ
196 /
BZ
228 /
B
260
*d / 1053.059
(+2) /
BZZ
196 /
BZ
228 /
B
260
d / 1073.573
(+2) /
BZZ
196 /
BZ
228 /
B
260
d / 1155.109
(+2) /
BZZ
196 /
BZ
228 /
B
260
d / 1257.159
(+2) /
BZZ
196 /
BZ
228 /
B
464
d / 988.184
(+3) /
BZZ
196 /
BZ
228 /
B
464
Structures / m/z
(charge) / Transitions
d / 1083.568
(+3) /
BZZ
196 /
BZ
228 /
B
260
d / 894.978
(+2) /
BZ
187 /
BZZ
196 /
BZ
228
*d,e,f / 915.491
(+2) /
BZZ
196 /
BZ
228 /
B
260
*b,d,e,f / 1017.541
(+2) /
BZZ
196 /
BZ
228 /
B
260
d,e,f / 1038.054
(+2) /
BZZ
196 /
BZ
228 /
B
260
b,d,e,f / 1119.591
(+2) /
BZZ
196 /
BZ
228 /
B
464
*d / 1140.104
(+2) /
BZ
228 /
Z
260 /
B
464
*d / 1242.154
(+2) /
BZZ
196 /
BZ
432 /
B
464
d / 991.856
(+3) /
BZZ
196 /
Z
260 /
B
464
d,e,f / 1046.2142
(+3) /
BZZ
196 /
BZ
228 /
B
464
Structures / m/z
(charge) / Transitions
d / 1073.565
(+3) /
BZZ
196 /
Z
260 /
B
464
d / 1141.598
(+3) /
BZZ
196 /
Z
260 /
B
464
*d,e,f / 988.520
(+2) /
BZ
344 /
B
376 /
B
825
*d,e,f / 1111.083
(+2) /
BZ
344 /
B
376 /
B
825
*c,d,e,f / 1213.133
(+2) /
BZ
344 /
B
376 /
B
825
d / 1233.646
(+2) /
BZ
344 /
B
376 /
B
825
d / 890.800
(+3) /
BZ
344 /
B
376 /
B
825
*c,d,e,f / 929.482
(+3) /
BZ
344 /
B
376 /
B
825
*c,d / 958.833
(+3) /
BZ
344 /
B
376 /
B
825
*c,d,e,f / 1079.224
(+3) /
BZ
344 /
B
376 /
B
825
d,e,f / 1108.575
(+3) /
BZ
344 /
B
376 /
B
825
*c,d,e,f / 1199.616
(+3) /
BZ
344 /
B
376 /
B
825
Structures / m/z
(charge) / Transitions
d / 921.977
(+4) /
BZ
344 /
B
376 /
B
825
*d / 1258.317
(+3) /
BZ
344 /
B
376 /
B
825
d,e,f / 954.246
(+4) /
BZ
344 /
B
376 /
B
825
*c,d,e,f / 1320.007
(+3) /
BZ
344 /
B
376 /
B
825
d,e,f / 1012.270
(+4) /
BZ
344 /
B
376 /
B
825
d,e,f / 1034.283
(+4) /
BZ
344 /
B
376 /
B
825
d,e,f / 1095.565
(+4) /
BZ
344 /
B
376 /
B
825
d,e,f / 1102.563
(+4) /
BZ
344 /
B
376 /
B
825
d,e,f / 1124.577
(+4) /
BZ
344 /
B
376 /
B
825
d,e,f / 1214.87
(+4) /
BZ
344 /
B
376 /
B
825
d,e,f / 1327.176
(+4) /
BZ
344 /
B
376 /
B
825
Structures / m/z
(charge) / Transitions
*b,d,e,f / 1198.128
(+2) /
BZZ
312 /
BZ
344 /
B
376
b,e,f / 1300.177
(+2) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 1320.691
(+2) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 948.830
(+3) /
BZZ
312 /
BZ
344 /
B
376
*b,d,e,f / 987.512
(+3) /
BZZ
312 /
BZ
344 /
B
376
b,d / 1016.863
(+3) /
BZZ
312 /
BZ
344 /
B
376
*d,e,f / 1069.221
(+3) /
BZZ
312 /
BZ
344 /
B
376
d / 1074.893
(+3) /
BZZ
312 /
BZ
344 /
B
376
*d / 849.944
(+4) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 1137.254
(+3) /
BZZ
312 /
BZ
344 /
B
376
e,f / 1166.050
(+3) /
BZZ
312 /
BZ
344 /
B
376
d / 1218.963
(+3) /
BZZ
312 /
BZ
344 /
B
376
Structures / m/z
(charge) / Transitions
d,e,f / 1232.638
(+3) /
BZZ
312 /
BZ
344 /
B
376
*d,e,f / 943.486
(+4) /
BZZ
312 /
BZ
344 /
B
376
d / 1261.989
(+3) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 965.499
(+4) /
BZZ
312 /
BZ
344 /
B
376
/ 1004.767
(+4) /
BZZ
312 /
BZ
344 /
B
376
d / 987.008
(+3) /
BZZ
312 /
BZ
344 /
B
376
d / 1009.021
(+4) /
BZZ
312 /
BZ
344 /
B
376
e,f / 1052.543
(+4) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 1055.792
(+4) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 1099.315
(+4) /
BZZ
312 /
BZ
344 /
B
376
/ 1142.837
(+4) /
BZZ
312 /
BZ
344 /
B
376
Structures / m/z
(charge) / Transitions
*d,e,f / 1146.086
(+4) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 1168.099
(+4) /
BZZ
312 /
BZ
344 /
B
376
*d / 1189.608
(+4) /
BZZ
312 /
BZ
344 /
B
376
d / 1229.380
(+4) /
BZZ
312 /
BZ
344 /
B
376
d,e,f / 1233.130
(+4) /
BZZ
312 /
BZ
344 /
B
376
Hybrid N-Glycans
d,f / 909.983
(+2) /
BZZ
196 /
B
260 /
BZ
432
d,f / 997.028
(+2) /
BZZ
196 /
B
260 /
BZ
432
d / 814.763
(+3) /
BZZ
196 /
B
260 /
BZ
432
f / 940.826
(+3) /
BZZ
196 /
BZ
228 /
BZ
432
d,e,f / 1012.033
(+2) /
B
260 /
BZ
432 /
BZZ
196
Structures / m/z
(charge) / Transitions
d / 1201.128
(+2) /
B
260 /
BZ
432 /
BZZ
196
d,e,f / 1090.57
(+2) /
BZZ
312 /
BZ
344 /
B
376
d / 931.482
(+3) /
BZZ
312 /
BZ
344 /
B
376
d / 997.516
(+3) /
BZZ
312 /
BZ
344 /
B
376
e,f / 1177.615
(+2) /
BZZ
312 /
BZ
344 /
B
376
/ 1016.524
(+4) /
BZZ
312 /
BZ
344 /
B
376
e,f / 1055.546
(+3) /
BZZ
312 /
BZ
344 /
B
376
*d,e,f / 1084.896
(+3) /
BZZ
312 /
BZ
344 /
B
376
/ 1268.989
(+3) /
BZZ
312 /
BZ
344 /
B
376
* / 1205.287
(+3) /
BZZ
312 /
BZ
344 /
B
376
d / 1234.638
(+3) /
BZZ
312 /
BZ
344 /
B
376
Structures / m/z
(charge) / Transitions
d,e,f / 1237.384
(+4) /
BZZ
312 /
BZ
344 /
B
376
e,f / 1238.638
(+3) /
BZZ
312 /
BZ
344 /
B
376

aTransitions of RNase B glycans.

bTransitions of PTG glycns.

cTransitions of fetuin glycans.

dTransitions of HBS glycans.

e Transitions of MDA-MB-231 cell line glycans.

f Transitions of MDA-MB-231BR cell line glycans.

*Glycan structures transitionswere confirmed from TSQ DDA experiment.

Fragments are labeled according to the nomenclature ofDomon and Costello (Glycoconjugate J.1998, 5, 397-409.)

Table S2. Linear dynamic concentration range of N-glycans derived from RNase B, PTG, and Fetuin glycoproteins. Symbols as in Table S1.

Structures / m/z
(charge) / Glyco-protein / R2 / Linear
Regression
Equation / Linear Dynamic Concentration
Range
/ 795.933
(+2) / RNase B / 0.996 / y = 2.47e5x+4.25e5 / 1ng-100ng
PTG / 0.972 / y = 6.28e4x-3.15e5 / 10ng-500ng
/ 897.983
(+2) / RNase B / 0.999 / y = 2.65e5x-2.88e5 / 1ng-100ng
PTG / 0.989 / y = 4.22e4x-3.80e5 / 10ng-500ng
/ 1000.033
(+2) / RNase B / 0.993 / y =2.02e4x+2.55e5 / 1ng-500ng
PTG / 0.997 / y = 3.51e4x-4.74e5 / 10ng-500ng
/ 1102.083
(+2) / RNase B / 0.996 / y = 1.37e4x-3.94e4 / 1ng-500ng
PTG / 0.992 / y = 3.29e4x-6.07e4 / 10ng-500ng
/ 1204.133
(+2) / RNase B / 0.999 / y = 1.51e3x-1.34e3 / 1ng-500ng
PTG / 0.996 / y = 2.33e4x-4.85e5 / 10ng-500ng
/ 930.496
(+2) / PTG / 0.989 / y = 1.49e2x+2.36e3 / 10ng-500ng
/ 1017.541
(+2) / PTG / 0.993 / y = 2.03e3x+2.59e4 / 10ng-500ng
/ 1119.591
(+2) / PTG / 0.993 / y = 3.64e3x-1.36e4 / 10ng-500ng
/ 1198.128
(+2) / PTG / 0.996 / y = 1.4e4x-2.37e4 / 10ng-500ng
/ 1300.177(+2) / PTG / 0.997 / y = 4.04e4x-1.06e6 / 10ng-500ng
/ 987.512 (+3) / PTG / 0.994 / y = 8.20e4x-1.82e6 / 10ng-500ng
/ 1016.863(+3) / PTG / 0.994 / y = 1.39e4x-2.94e4 / 25ng-500ng
/ 1213.133(+2) / Fetuin / 0.957 / y = 1.91e5x+9.17e5 / 1ng-100ng
/ 929.482
(+3) / Fetuin / 0.960 / y = 4.67e5x+1.46e6 / 1ng-100ng
/ 958.833
(+3) / Fetuin / 0.967 / y = 3.87e3x+3.20e5 / 15ng -500ng
/ 1079.224(+3) / Fetuin / 0.962 / y = 9.05e4x-3.80e4 / 1ng-100ng
/ 1199.616
(+3) / Fetuin / 0.993 / y = 1.45e6x+4.74e6 / 1ng-100ng
/ 1320.007
(+3) / Fetuin / 0.974 / y = 2.02e4x-6.95e4 / 1ng-100ng

Table S3. Linear dynamicconcentration range of N-glycans derived from pooled human blood serum. Symbols as in Table S1.

Structure / m/z
(charge) / R2 / Linear Regression
Equation / Linear DynamicConcentration
Range
/ 1368.725
(+1) / 0.983 / y = 4.72e4x + 1.50e4 / 0.1μl - 1μl
/ 795.933
(+2) / 0.845 / y = 2.97e7x + 1.30e6 / 0.005μl - 0.1μl
/ 897.983
(+2) / 0.966 / y = 7.02e7x + 1.30e6 / 0.005μl - 0.1μl
/ 1000.033
(+2) / 0.977 / y = 1.95e7x+ 2.65e5 / 0.005μl - 0.1μl
/ 1102.083
(+2) / 0.931 / y = 1.14e7x+ 8.10e5 / 0.005μl –0.5μl
/ 1204.133
(+2) / 0.964 / y = 8.80e6x+ 4.78e5 / 0.005μl -0.5μl
/ 1306.182
(+2) / 0.982 / y = 5.08e5x+ 3.40e4 / 0.025μl -1μl
/ 705.833
(+2) / 0.902 / y = 9.02e5x+2.98e5 / 0.005μl - 0.1μl
/ 828.446
(+2) / 0.978 / y = 5.94e6x + 5.81e4 / 0.005μl - 0.1μl
/ 930.496
(+2) / 0.997 / y = 8.82e6x + 3.15e4 / 0.005μl - 0.1μl
/ 951.009
(+2) / 0.992 / y = 4.32e7x+2.39e5 / 0.005μl - 0.1μl
/ 1053.059
(+2) / 0.998 / y = 3.61e7x + 8.58e4 / 0.005μl - 0.1μl
/ 1073.573
(+2) / 0.952 / y = 6.52e5x+ 5.80e4 / 0.025μl- 0.5μl
/ 1155.109
(+2) / 0.983 / y = 3.99e6x+ 1.33e5 / 0.005μl- 0.5μl
/ 1257.159
(+2) / 0.997 / y = 2.30e5x- 2.74e3.1 / 0.1μl –0.5μl
/ 988.184
(+3) / 0.940 / y = 3.95ex+ 1.97e4 / 0.025μl- 0.5μl
/ 1083.568
(+3) / 0.995 / y = 1.36e4x + 2.51e4 / 0.1μl - 1μl
/ 915.491
(+2) / 0.993 / y = 2.36e8x + 1.48e6 / 0.005μl - 0.1μl
/ 1017.541
(+2) / 0.904 / y = 6.44e7x + 5.13e6 / 0.005μl - 0.5μl
/ 1038.054
(+2) / 0.993 / y = 4.51e7x + 2.49e5 / 0.005μl - 0.1μl
/ 1119.591
(+2) / 0.986 / y = 2.45e7x + 6.83e4 / 0.005μl - 0.5μl
/ 1140.104
(+2) / 0.966 / y = 2.11e7x + 9.36e5 / 0.005μl -1μl
/ 1242.154
(+2) / 0.990 / y =1.36e7x+3.08e5 / 0.005μl - 0.5μl
/ 991.856
(+3) / 0.941 / y =2.53e5x+1.99e5 / 0.1μl - 1μl
/ 1046.214
(+3) / 0.997 / y = 5.00e7x+1.44e5 / 0.005μl - 0.1μl
/ 1073.565
(+3) / 0.962 / y = 6.55e5x+6.14e4 / 0.025μl –0.5μl
/ 1141.598
(+3) / 0.998 / y = 2.45e7x+5.69e4 / 0.005μl – 0.1μl
. / 988.520
(+2) / 0.994 / y = 1.32e8x – 1.03e5 / 0.005μl - 0.1μl
/ 1111.083
(+2) / 0.980 / y =8.76e6x+2.95e5 / 0.005μl - 0.5μl
/ 1213.133
(+2) / 0.997 / y =9.72e7x+1.23e6 / 0.005μl -0.5μl
/ 1233.646
(+2) / 0.928 / Y=5.28e6+4.55e5 / 0.005μl – 0.5μl
/ 890.800
(+3) / 0.942 / y =7.76e8x+3.80e5 / 0.005μl -0.5μl
/ 929.482
(+3) / 0.916 / y =1.14e9x+9.20e6 / 0.005μl -0.1μl
/ 958.833
(+3) / 0.954 / y =6.68e6x+3.03e4 / 0.025μl - 0.1μl
/ 1079.224
(+3) / 0.936 / y = 6.17e6x+1.43e6 / 0.025μl - 0.5μl
/ 1108.575
(+3) / 0.989 / y =6.13e6x+4.31e3 / 0.005μl -0.1μl
/ 899.963
(+4) / 0.970 / y =2.36e8x+6.93e5 / 0.005μl - 0.1μl
/ 921.977
(+4) / 0.954 / y =6.68e6x+3.03e5 / 0.025μl - 0.5μl
/ 1258.317
(+3) / 0.902 / y = 9.25e7x + 8.64e6 / 0.025μl - 0.5μl
/ 954.246
(+4) / 0.996 / y =3.44e6x-7.54e3 / 0.025μl - 0.5μl
/ 1320.007
(+4) / 0.996 / y =1.80e6x+1.28e5 / 0.025μl - 0.5μl
/ 1012.270
(+4) / 0.977 / y =4.02e6x+3.90e3 / 0.025μl - 0. 1μl
/ 1034.283
(+4) / 0.996 / y =1.82e6x-1.42e4 / 0.025μl - 0.5μl
/ 1095.565
(+4) / 0.975 / y =1.19e7x-1.41e5 / 0.025μl - 0. 1μl
/ 1102.563
(+4) / 0.979 / y = 7.75e7x+1.20e5 / 0.005μl - 0.1μl
/ 1124.577
(+4) / 0.960 / y =4.16e6x+5.74e4 / 0.1μl - 1μl
/ 1214.87
(+4) / 0.974 / y =1.84e7x+8.92e5 / 0.005μl - 0.5μl
/ 1327.176
(+4) / 0.978 / y =5.11e4x+2860 / 0.5μl - 0.1μl
/ 894.978
(+2) / 0.960 / y = 6.04e5x – 8.36e3 / 0.005μl - 0.1μl
/ 1198.128
(+2) / 0.994 / y =6.97e6x+1.74e5 / 0.005μl - 0.5μl
/ 1320.691
(+2) / 0.991 / y =2.73e6x+6.60e3 / 0.025μl - 0.5μl
/ 948.830
(+3) / 0.962 / y =4.71e7x+2.36e5 / 0.005μl - 0.5μl
/ 987.512
(+3) / 0.994 / y =2.20e8x-1.85e5 / 0.005μl - 0.1μl
/ 1016.863
(+3) / 0.983 / y =4.89e6x-8.02e3 / 0.005μl –0.1μl
/ 1069.221
(+3) / 1.000 / y =3.64e7x-8.55e4 / 0.005μl - 0.1μl
/ 1074.893
(+3) / 0.996 / y = 3.32e8x-2.46e6 / 0.005μl - 0.1μl
/ 849.944
(+4) / 0.941 / y =4.20e4x+1.92e5 / 0.025μl - 0.5μl
/ 1137.254
(+3) / 0.999 / y =1.02e7x-5.91e4 / 0.025μl - 0.1μl
/ 1218.963
(+3) / 0.989 / y =6.44e6x+2.13e5 / 0.025μl - 0.5μl
/ 1232.638
(+3) / 0.998 / y = 5.79e6x+1.02e5 / 0.025μl - 0.5μl
/ 943.486
(+4) / 0.890 / y =3.057x+4.02e5 / 0.005μl -0.1μl
/ 1261.989
(+3) / 0.991 / y = 6.05e6x-1.41e4 / 0.025μl –0.5μl
/ 965.499
(+4) / 0.969 / y =6.60e6x+1.78e4 / 0.005μl - 0.1μl
/ 987.008
(+3) / 0.993 / y =1.30e8x-1.06e5 / 0.005μl - 0.1μl
/ 1009.021
(+4) / 0.991 / y = 8.58e6x-7.76e4 / 0.005μl – 0.1μl
/ 1055.792
(+4) / 0.983 / y =1.15e7x-1.20e5 / 0.005μl - 0.1μl
/ 1099.315
(+4) / 0.910 / y= 3.15e6x+2.50e5 / 0.005μl - 0.5μl
/ 1146.086 (+4) / 0.969 / y =2.17e7x-3.40e5 / 0.005μl - 0.1μl
/ 1168.099
(+4) / 0.935 / y =2.06e5x+7.85e4 / 0.1μl - 1μl
/ 1189.608
(+4) / 0.966 / y =1.88e7x+6.81e5 / 0.005μl - 0.5μl
/ 1229.380
(+4) / 0.960 / y = 8.54e6x+4.44e5 / 0.025μl - 0.5μl
/ 1233.130
(+4) / 0.990 / y =8.23e6x+2.67e5 / 0.025μl - 0.5μl
/ 909.983
(+2) / 0.995 / y =5.99e6x+2.22e4 / 0.005μl -0.1μl
/ 997.028
(+2) / 0.988 / y = 1.68e6x+5.20E3 / 0.005μl -0.5μl
/ 1012.033
(+2) / 0.996 / y = 1.01e7x+2.79E4 / 0.005μl -0.5μl
/ 1090.57
(+2) / 0.992 / y =2.51e7+3.46E5 / 0.005μl -0.5μl
/ 1201.128
(+2) / 0994 / y = 8.66e6x + 1.19E4 / 0.005μl - 0.1μl
/ 814.763
(+3) / 0.931 / y = 1.71e6x + 1.15E4 / 0.025μl - 0. 1μl
/ 931.482
(+3) / 0.950 / y =3.20e7x+2.265 / 0.005μl -0.1μl
/ 997.516
(+3) / 0.980 / y =1.70e7x+4.10E4 / 0.005μl - 0.1μl
/ 1084.896
(+3) / 0.993 / y =1.41e7x-2.15E4 / 0.005μl - 0.1μl
/ 1234.638
(+3) / 0.971 / y =7.64e6x-1.32e5 / 0.025μl - 0.5μl
/ 1237.384
(+4) / 0.967 / y =7.15e6x+2.51E5 / 0.005μl –0.5μl

Table S4. Intensity of N-glycans derived from cell lines MDA-MB-231 and MDA-MB-231BR.

Symbols as in Table S1.

Structures / m/z
(charge) / Peak Area / Ratio (a/b) / P Value
MDA-MB-231-BR
(a) / %RSD / MDA-MB-231 (b) / %RSD
/ 1164.625
(+1) / 5.65E+05 / 7.1% / 2.12E+05 / 4% / 2.7 / 1E-04
/ 1368.725
(+1) / 1.67E+05 / 11.5% / 4.68E+04 / 8% / 3.6 / 4E-04
/ 795.933
(+2) / 1.77E+06 / 11.4% / 2.60E+05 / 31% / 6.8 / 3E-04
/ 897.983
(+2) / 1.72E+07 / 17.7% / 5.99E+06 / 47% / 2.9 / 9E-03
/ 1000.033
(+2) / 2.27E+07 / 6.1% / 1.03E+07 / 15% / 2.2 / 5E-04
/ 1102.083
(+2) / 3.78E+07 / 4.6% / 1.53E+07 / 21% / 2.5 / 5E-04
/ 1204.133
(+2) / 1.08E+07 / 0.5% / 8.38E+06 / 3% / 1.3 / 9E-05
/ 1306.182
(+2) / 7.50E+05 / 7.3% / 8.52E+05 / 11% / 0.9 / 2E-01
/ 705.883
(+2) / 6.11E+05 / 22.3% / ND / NA / NA / NA
/ 828.446
(+2) / 5.87E+05 / 12.1% / 1.23E+05 / 15% / 4.8 / 4E-04
/ 930.496
(+2) / 2.03E+05 / 17.0% / ND / NA / NA / NA
/ 915.491
(+2) / 6.33E+06 / 16.9% / 1.14E+06 / 9% / 5.6 / 1E-03
/ 1017.541
(+2) / 1.67E+06 / 14.2% / 1.11E+06 / 11% / 1.5 / 2E-02
/ 1038.054
(+2) / 2.89E+06 / 11.7% / 1.11E+06 / 6% / 2.6 / 9E-04
/ 1119.591
(+2) / 4.29E+06 / 7.8% / 4.03E+06 / 20% / 1.1 / 6E-01
/ 1046.214
(+3) / 3.97E+05 / 15.1% / 3.60E+05 / 9% / 1.1 / 4E-01
/ 1111.083
(+2) / 1.51E+06 / 9.9% / 1.92E+05 / 7% / 7.9 / 1E-04
Structures / m/z
(charge) / Peak Area / Ratio (a/b) / P Value
MDA-MB-231-BR
(a) / %RSD / MDA-MB-231 (b) / %RSD
/ 1213.133
(+2) / 6.64E+06 / 16.8% / 1.88E+06 / 15% / 3.5 / 2E-03
/ 929.483
(+3) / 4.61E+06 / 6.7% / 7.63E+05 / 3% / 6.0 / 3E-05
/ 1079.224
(+3) / 3.57E+06 / 14.2% / 1.63E+06 / 8% / 2.2 / 3E-03
/ 1108.575
(+3) / 2.23E+05 / 14.2% / 6.98E+04 / 16% / 3.2 / 1E-03
/ 1199.616 (+3) / 6.03E+06 / 1.5% / 1.31E+06 / 28% / 4.6 / 3E-05
/ 954.246
(+4) / 1.53E+07 / 2.8% / 1.10E+07 / 11% / 1.4 / 4E-03
/ 1320.007
(+3) / 4.59E+06 / 1.2% / 8.22E+05 / 10% / 5.6 / 4E-7
/ 1012.270
(+4) / 2.49E+05 / 18.5% / 1.69E+05 / 12% / 1.5 / 4E-02
/ 1034.283
(+4) / 9.57E+04 / 13.2% / 4.24E+04 / 5% / 2.3 / 2E-03
/ 1095.565
(+4) / 1.73E+05 / 14.5% / 8.38E+04 / 12% / 2.1 / 5E-03
/ 1102.563
(+4) / 1.27E+06 / 7% / 7.87E+05 / 15% / 1.6 / 5E-02
/ 1124.577
(+4) / 1.75E+05 / 10.3% / 8.78E+04 / 12% / 2 / 2E-02
/ 1214.87
(+4) / 1.30E+06 / 14.0% / 1.21E+06 / 6% / 1.1 / 5E-01
/ 1327.176
(+4) / 1.75E+06 / 4.3% / 7.60E+05 / 15% / 2.3 / 2E-04
/ 1198.128
(+2) / 3.38E+06 / 16.3% / 6.82E+05 / 18% / 5.0 / 1E-03
/ 1300.177
(+2) / 1.19E+07 / 10.5% / 6.84E+06 / 7% / 1.7 / 3E-03
/ 1320.691
(+2) / 9.64E+06 / 3.7% / 4.70E+06 / 8% / 2.0 / 8E-05
/ 948.830
(+3) / 5.66E+04 / 2% / 2E+04 / 6% / 2.3 / 6E-06
Structures / m/z
(charge) / Peak Area / Ratio (a/b) / P Value
MDA-MB-231-BR
(a) / %RSD / MDA-MB-231 (b) / %RSD
/ 987.512
(+3) / 1.28E+07 / 2.4% / 3.74E+06 / 24% / 3.4 / 7E-05
/ 1069.221
(+3) / 5.83E+06 / 11.8% / 2.43E+06 / 6% / 2.4 / 4E-05
/ 1137.254
(+3) / 7.46E+06 / 5.5% / 3.16E+06 / 15% / 2.4 / 3E-04
/ 1166.05
(+3) / 3.17E+05 / 9.3% / 1.50E+05 / 4% / 2.1 / 6E-04
/ 943.486
(+4) / 1.23E+06 / 8.5% / 8.32E+05 / 18% / 1.5 / 2E-02
/ 965.499
(+4) / 2.25E+05 / 8.4% / 1.54E+05 / 28% / 1.5 / 6E-02
/ 1055.792
(+4) / 1.29E+06 / 5.4% / 9.38E+05 / 24% / 1.4 / 6E-02
/ 1099.315
(+4) / 3.61E+05 / 11.0% / 2.40E+05 / 8% / 1.5 / 9E-03
/ 1146.086
(+4) / 4.24E+06 / 2.9% / 2.84E+06 / 15% / 1.5 / 5E-03
/ 1232.638
(+3) / 1.15E+05 / 3.5% / 7.73E+04 / 17% / 1.5 / 9E-03
/ 1052.544
(+4) / 1.67E+06 / 5.2% / 1.31E+06 / 5% / 1.3 / 5E-03
/ 1168.099
(+4) / 4.54E+05 / 5.0% / 2.93E+05 / 14% / 1.6 / 4E-03
/ 1233.130
(+4) / 2.69E+05 / 6.5% / 1.80E+05 / 18% / 1.5 / 1E-02
/ 909.984
(+2) / 2.85E+05 / 12.3% / ND / NA / NA / NA
/ 997.028
(+2) / 2.13E+05 / 4.3% / ND / NA / NA / NA
/ 1012.033
(+2) / 6.38E+05 / 3.4% / 3.01E+05 / 1% / 2.1 / 1E-05
/ 1090.57
(+2) / 2.01E+06 / 12.5% / 5.78E+05 / 3% / 3.5 / 6E-04
/ 1177.615
(+2) / 2.60E+06 / 8.2% / 1.83E+05 / 19% / 14.2 / 4E-05
Structures / m/z
(charge) / Peak Area / Ratio (a/b) / P Value
MDA-MB-231-BR
(a) / %RSD / MDA-MB-231 (b) / %RSD
/ 940.826
(+3) / 1.20E+06 / 6.2% / NA / ND / NA / NA
/ 1055.546
(+3) / 6.72E+05 / 4.7% / 5.55E+05 / 15% / 1.2 / 9E-02
/ 1084.896
(+3) / 7.69E+06 / 10.3% / 1.94E+06 / 12% / 4.0 / 3E-04
/ 1238.638
(+3) / 5.01E+05 / 13.8% / 3.91E+05 / 8% / 1.3 / 7E-02
/ 1237.384
(+4) / 1.49E+06 / 8.1% / 8.91E+05 / 10% / 1.7 / 2E-03