Table 1 LC-MS/MS parameters for the quantitation of amylase/trypsin-inhibitors (ATIs) by parallel reaction monitoring (PRM)

From: Amylase/trypsin-inhibitor content and inhibitory activity of German common wheat landraces and modern varieties do not differ

Peptide/ internal standard (P/IS)

ATI

Amino acid sequencea

Precursor m/z

Product ions

Collision energy (eV)

P

IS

P1/IS1

0.28

LQCVGSQV*PEA*VLR

778.4167

784.4305

b3/y6/y7/y10/y11/y12

27

P2/IS2

0.28

LTAASVPEVC*K

587.8105

591.8176

y3/y5/y6/y7/y8/y9

24

P3/IS3

0.19 + 0.53

LQCNGSQV*PEA*VLR

LQCNGSQVPEAVL*R

785.9039

785.9039

791.9177

790.9081

y6/y7/y8/y10/y11/y12

y6/y7/y8/y10/y11/y12

27

27

P4/IS4

0.19 + 0.53

LTAASITAVC*R

581.8161

586.8202

y6/y7/y8/y10/y11/y12

27

P5/IS5

0.53

EHGVSEGQAGTGAFPSC*R

616.2761b

619.6122b

b8/y4/y5/y6/y7/y9

27

P6/IS6

CM1

SDPNSSVL*K

473.7456

477.7527

y7c/y5/y6/y7

33

P7

CM2

EYVAQQTCGVGIVGSPVSTEPGNTPR

1352.1558

–

y6/y7/y9/y11/y12/y13

30

P8/IS8

CM2

TSDPNSGVL*K

509.2642

513.2713

b3/y7c/y8c/y7/y8/y9

18

P9/IS9

CM3

YFIALPVPSQPVDP*R

849.9643

854.9685

b3/b4/y8/y10/y11/y12

27

P10/IS10

CM3

SGNVGESGLIDL*PGC*PR

864.4227

870.4365

b3/y5/y6/y7/y11/y13

27

P11/IS11

CM16

DYVEQQAC*R

584.7562

589.7603

b2/y7c/y5/y6/y7

18

P12/IS12

CM16

QQCCGELANIPQQC*R

931.4087

936.4129

y5/y6/y7/y8/y9/y11

27

P12c/IS12c

CM16

QQCCGELANIPQQC*R

922.8955

927.8996

b3/b6/y5/y7/y8/y9

27

P13/IS13

CM17

NYVEEQAC*R

584.7562

589.7603

b2/b3/y8c/y5/y6/y7

18

P14/IS14

WASI

HVITGPV*R

439.7640

444.7681

b3/y4/y5/y6/y7

22

P15/IS15

WASI

YSGAEVHEY*K

591.7749

595.7820

y8c/y9c/y4/y6/y8/y9

20

P16/IS16

CMX1/2/3

EFIAGIVG*R

481.2769

486.2810

b3/y3/y4/y5/y6/y7

22

P17/IS17

WCI

ELAAISSNC*R

560.7744

565.7785

b3/b4/y5/y6/y7/y8

20

P18/IS18

WCI

AFPPSQSQGGGPPQPPLAP*R

993.5132

998.5174

y6/y9/y10/y11/y12/y14

27

P19/IS19

WTI

ELEAVSEEC*R

611.2744

616.2786

b4/y4/y5/y6/y7/y8

18

P20/IS20

WTI

LEGVPEGCT*R

559.2690

564.2731

b2/b3/b4/y6c/y6/y8

20

P21/IS21

CMX1/3

GSLLQDMS*R

503.7529

508.7571

b3/y6c/y7c/y4/y5/y6

20

P22/IS22

0.19

EHGAQEGQAGTGAFP*R

538.2536b

541.5897b

b5/b8/y5/y6/y7/y8

27

  1. CM chloroform/methanol, WASI wheat amylase subtilisin inhibitor, WCI wheat chymotrypsin inhibitor, WTI wheat trypsin inhibitor.
  2. aC, S-carboxyamidomethylcysteine; Q, pyroglutamyl; *P, proline (13C5, 15N); *V, valine (13C5, 15N); *K, lysine (13C6, 15N2); *R, arginine (13C6, 15N4).
  3. bPrecursors were 3+, all other ones 2+.
  4. cProduct ions were 2+, all other ones 1+.
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