Runge Kutta : Step:  For Adaptive step method, an initial step size is required.
Model name:   Population size:   Email:

Rxn Name Compound Reactant/Product Carbon
V1 A Reactant A,B
B Product B,A
V2 B Reactant A,B
C Product A,B
V2_reversed C Reactant A,B
B Product A,B
V3 B Reactant A,B
C Reactant a,b
D Product A,B,b,a
V4 C Reactant A,B
E Product B,A
V5 C Reactant A,B
E Reactant C,D
F Product A,B,C,D
V6 B Reactant A,B
BOUT Product A,B
V7 D Reactant A,B,C,D
DOUT Product A,B,C,D
V8 F Reactant A,B,C,D
FOUT Product A,B,C,D

FLUXES NET

Reaction Name Constrained Flux Value
V1 1

POOL_SIZE

Compound Name Value
B 0.4
C 0.7
D 1.0
F 0.03

EQUALITIES

Coefficient reaction 1 Coefficient reaction 2 Value

INEQUALITIES

InEqualities

LABEL_INPUT

Compound Isotopomer Value
A 11 0.1
A 10 0.35
A 01 0.5
A 00 0.05

MASS_SPECTROMETRY

Compound Fragment Mass Value Standard deviation Time point
F 1,2,3,4 0 0.507671947998 0.01 1.0
F 1,2,3,4 0 0.198681280559 0.01 2.0
F 1,2,3,4 0 0.081537060442 0.01 3.0
F 1,2,3,4 1 0.407647574173 0.01 1.0
F 1,2,3,4 1 0.555652055576 0.01 2.0
F 1,2,3,4 1 0.503913835693 0.01 3.0
F 1,2,3,4 2 0.077762500815 0.01 1.0
F 1,2,3,4 2 0.210727736452 0.01 2.0
F 1,2,3,4 2 0.344676744529 0.01 3.0
E 1,2 0 0.888517029665 0.01 1.0
E 1,2 0 0.717564676769 0.01 2.0
E 1,2 0 0.552173831988 0.01 3.0
E 1,2 1 0.101719310646 0.01 1.0
E 1,2 1 0.254274762648 0.01 2.0
E 1,2 1 0.401867203788 0.01 3.0
E 1,2 2 0.009763659689 0.01 1.0
E 1,2 2 0.028160560583 0.01 2.0
E 1,2 2 0.045958964224 0.01 3.0