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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:36:50 UTC

HMDB ID

HMDB0000052

Secondary Accession Numbers

HMDB0001006
HMDB00052
HMDB01006

Metabolite Identification

Common Name

Argininosuccinic acid

Description

Arginosuccinic acid is a basic amino acid. Some cells synthesize it from citrulline, aspartic acid and use it as a precursor for arginine in the urea cycle or Citrulline-NO cycle. The enzyme that catalyzes the reaction is argininosuccinate synthetase. Argininosuccinic acid is a precursor to fumarate in the citric acid cycle via argininosuccinate lyase. Defects in the argininosuccinate lyase enzyme can lead to argininosuccinate lyase deficiency, which is an inborn error of metabolism. Argininosuccinate (ASA) lyase deficiency results in defective cleavage of ASA. This leads to an accumulation of ASA in cells and an excessive excretion of ASA in urine (argininosuccinic aciduria). In virtually all respects, this disorder shares the characteristics of other urea cycle defects. The most important characteristic of ASA lyase deficiency is its propensity to cause hyperammonemia in affected individuals. ASA in affected individuals is excreted by the kidney at a rate practically equivalent to the glomerular filtration rate (GFR). Whether ASA itself causes a degree of toxicity due to hepatocellular accumulation is unknown; such an effect could help explain hyperammonemia development in affected individuals. Regardless, the name of the disease is derived from the rapid clearance of ASA in urine, although elevated levels of ASA can be found in plasma. ASA lyase deficiency is associated with high mortality and morbidity rates. Symptoms of ASA lyase deficiency include anorexia, irritability rapid breathing, lethargy and vomiting. Extreme symptoms include coma and cerebral edema.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0000052
     RDKit          3D
Argininosuccinic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -1.7537    1.1031    1.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635    0.1775    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404    0.4135    0.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.2059    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.2245   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.3917    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    0.1301   -0.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8279    1.5801   -0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.2449   -1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    0.6172   -2.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.5800   -2.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -0.9834    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -0.9865   -0.1533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2994   -0.3156    0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6851   -0.3741    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0243   -1.0415   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6664    0.3593    1.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -0.2232   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.2718   -1.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.0151   -2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    1.9719    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    1.0446   -0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0766    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -1.3229    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    1.3397    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.0287   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.0578    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.4934    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924   -0.2551    0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    1.9888   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    1.8742    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -2.0237   -2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -1.9222    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908   -2.0048   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2551   -0.7723    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.7674    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7943    1.3501    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.9221   -2.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  1
  8 30  1  0
  8 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 17 37  1  0
 20 38  1  0
M  END

  Mrv1652307082004522D          

 20 19  0  0  1  0            999 V2000
   -3.5735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4301    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    0.4124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5712    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    1.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4301   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2855    0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5760   -0.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714   -0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 11 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17  1  2  0  0  0  0
 18  1  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000052

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

> <INCHI_KEY>
KDZOASGQNOPSCU-WDSKDSINSA-N

> <FORMULA>
C10H18N4O6

> <MOLECULAR_WEIGHT>
290.2731

> <EXACT_MASS>
290.122634328

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
27.598868203245992

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{N'-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid

> <ALOGPS_LOGP>
-3.25

> <JCHEM_LOGP>
-5.803854917241661

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.2332188556928654

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.1362975685976218

> <JCHEM_PKA_STRONGEST_BASIC>
12.386778734858158

> <JCHEM_POLAR_SURFACE_AREA>
185.82999999999998

> <JCHEM_REFRACTIVITY>
75.3116

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.56e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
argininosuccinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000052
     RDKit          3D
Argininosuccinic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -1.7537    1.1031    1.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635    0.1775    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404    0.4135    0.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.2059    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.2245   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.3917    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    0.1301   -0.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8279    1.5801   -0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.2449   -1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    0.6172   -2.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.5800   -2.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -0.9834    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -0.9865   -0.1533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2994   -0.3156    0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6851   -0.3741    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0243   -1.0415   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6664    0.3593    1.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -0.2232   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.2718   -1.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.0151   -2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    1.9719    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    1.0446   -0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0766    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -1.3229    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    1.3397    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.0287   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.0578    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.4934    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924   -0.2551    0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    1.9888   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    1.8742    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -2.0237   -2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -1.9222    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908   -2.0048   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2551   -0.7723    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.7674    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7943    1.3501    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.9221   -2.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  1
  8 30  1  0
  8 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 17 37  1  0
 20 38  1  0
M  END

HEADER    PROTEIN                                 08-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-JUL-20         0                                  
HETATM    1  C   UNK     0      -6.671   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.337   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.003   0.000   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -2.670   0.770   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -1.336   0.000   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.002   0.770   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.331   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.003  -1.540   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -1.336  -1.540   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       2.665   0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.999   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.333   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.666   0.000   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       5.333   2.310   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -2.670  -2.310   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -5.337  -2.310   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -8.000   0.778   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.675  -1.538   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.667  -1.540   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.000   0.770   0.000  0.00  0.00           O+0
CONECT    1    2   17   18                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7                                                       
CONECT    7    6   10                                                       
CONECT    8    3   15   16                                                  
CONECT    9    5                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12                                                       
CONECT   12   13   14   11                                                  
CONECT   13   12   19   20                                                  
CONECT   14   12                                                            
CONECT   15    8                                                            
CONECT   16    8                                                            
CONECT   17    1                                                            
CONECT   18    1                                                            
CONECT   19   13                                                            
CONECT   20   13                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0000052
HETATM    1  N1  UNL     1      -1.754   1.103   1.398  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.263   0.177   0.630  1.00  0.00           C  
HETATM    3  N2  UNL     1       0.040   0.413   0.118  1.00  0.00           N  
HETATM    4  C2  UNL     1       1.190  -0.206   0.720  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.437   0.225  -0.028  1.00  0.00           C  
HETATM    6  C4  UNL     1       3.687  -0.392   0.556  1.00  0.00           C  
HETATM    7  C5  UNL     1       4.849   0.130  -0.296  1.00  0.00           C  
HETATM    8  N3  UNL     1       4.828   1.580  -0.171  1.00  0.00           N  
HETATM    9  C6  UNL     1       4.667  -0.245  -1.704  1.00  0.00           C  
HETATM   10  O1  UNL     1       4.522   0.617  -2.611  1.00  0.00           O  
HETATM   11  O2  UNL     1       4.647  -1.580  -2.092  1.00  0.00           O  
HETATM   12  N4  UNL     1      -1.998  -0.983   0.338  1.00  0.00           N  
HETATM   13  C7  UNL     1      -3.377  -0.986  -0.153  1.00  0.00           C  
HETATM   14  C8  UNL     1      -4.299  -0.316   0.796  1.00  0.00           C  
HETATM   15  C9  UNL     1      -5.685  -0.374   0.318  1.00  0.00           C  
HETATM   16  O3  UNL     1      -6.024  -1.041  -0.677  1.00  0.00           O  
HETATM   17  O4  UNL     1      -6.666   0.359   1.022  1.00  0.00           O  
HETATM   18  C10 UNL     1      -3.327  -0.223  -1.429  1.00  0.00           C  
HETATM   19  O5  UNL     1      -2.220   0.272  -1.849  1.00  0.00           O  
HETATM   20  O6  UNL     1      -4.405   0.015  -2.244  1.00  0.00           O  
HETATM   21  H1  UNL     1      -1.260   1.972   1.645  1.00  0.00           H  
HETATM   22  H2  UNL     1       0.149   1.045  -0.703  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.312   0.077   1.775  1.00  0.00           H  
HETATM   24  H4  UNL     1       1.089  -1.323   0.609  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.529   1.340   0.061  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.359  -0.029  -1.087  1.00  0.00           H  
HETATM   27  H7  UNL     1       3.815  -0.058   1.596  1.00  0.00           H  
HETATM   28  H8  UNL     1       3.634  -1.493   0.479  1.00  0.00           H  
HETATM   29  H9  UNL     1       5.792  -0.255   0.144  1.00  0.00           H  
HETATM   30  H10 UNL     1       5.631   1.989  -0.705  1.00  0.00           H  
HETATM   31  H11 UNL     1       4.856   1.874   0.822  1.00  0.00           H  
HETATM   32  H12 UNL     1       5.450  -2.024  -2.506  1.00  0.00           H  
HETATM   33  H13 UNL     1      -1.571  -1.922   0.467  1.00  0.00           H  
HETATM   34  H14 UNL     1      -3.691  -2.005  -0.367  1.00  0.00           H  
HETATM   35  H15 UNL     1      -4.255  -0.772   1.826  1.00  0.00           H  
HETATM   36  H16 UNL     1      -4.058   0.767   0.920  1.00  0.00           H  
HETATM   37  H17 UNL     1      -6.794   1.350   0.858  1.00  0.00           H  
HETATM   38  H18 UNL     1      -4.834   0.922  -2.388  1.00  0.00           H  
CONECT    1    2    2   21
CONECT    2    3   12
CONECT    3    4   22
CONECT    4    5   23   24
CONECT    5    6   25   26
CONECT    6    7   27   28
CONECT    7    8    9   29
CONECT    8   30   31
CONECT    9   10   10   11
CONECT   11   32
CONECT   12   13   33
CONECT   13   14   18   34
CONECT   14   15   35   36
CONECT   15   16   16   17
CONECT   17   37
CONECT   18   19   19   20
CONECT   20   38
END

HMDB0000052
     RDKit          3D
Argininosuccinic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -1.7537    1.1031    1.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635    0.1775    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0404    0.4135    0.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.2059    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    0.2245   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -0.3917    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    0.1301   -0.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8279    1.5801   -0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -0.2449   -1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    0.6172   -2.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.5800   -2.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -0.9834    0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -0.9865   -0.1533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2994   -0.3156    0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6851   -0.3741    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0243   -1.0415   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6664    0.3593    1.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -0.2232   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.2718   -1.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.0151   -2.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    1.9719    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    1.0446   -0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0766    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -1.3229    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294    1.3397    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.0287   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.0578    1.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.4934    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924   -0.2551    0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    1.9888   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    1.8742    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -2.0237   -2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -1.9222    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908   -2.0048   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2551   -0.7723    1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580    0.7674    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7943    1.3501    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.9221   -2.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  1
  8 30  1  0
  8 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 17 37  1  0
 20 38  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-(Nomega-L-arginino)succinate	Kegg
L-Argininosuccinate	Kegg
L-Argininosuccinic acid	Kegg
L-Arginosuccinic acid	Kegg
2-(Nomega-L-arginino)succinic acid	Generator
L-Arginosuccinate	Generator
Argininosuccinate	Generator
2-(N(Omega)-L-arginine)succinate	HMDB
2-(N(Omega)-L-arginine)succinic acid	HMDB
2-(N(Omega)-L-arginino)succinate	HMDB
2-(N(Omega)-L-arginino)succinic acid	HMDB
2-(Nw-l-arginino)butanedioate	HMDB
2-(Nw-l-arginino)butanedioic acid	HMDB
Arginosuccinate	HMDB
Arginosuccinic acid	HMDB
ASA	HMDB
N(Omega)-(L-arginino)succinate	HMDB
N(Omega)-(L-arginino)succinic acid	HMDB
N-(((4-Amino-4-carboxybutyl)amino)iminomethyl)-L-aspartate	HMDB
N-(((4-Amino-4-carboxybutyl)amino)iminomethyl)-L-aspartic acid	HMDB
N-(L-Arginino) succinate	HMDB
N-(L-Arginino) succinic acid	HMDB
N-(L-Arginino)succinate	HMDB
N-(L-Arginino)succinic acid	HMDB
N-[(4-Amino-4-carboxybutyl)amidino]-L-aspartate	HMDB
N-[(4-Amino-4-carboxybutyl)amidino]-L-aspartic acid	HMDB
N-[[(4-Amino-4-carboxybutyl)amino]iminomethyl]-L-aspartate	HMDB
N-[[(4-Amino-4-carboxybutyl)amino]iminomethyl]-L-aspartic acid	HMDB
Acid, argininosuccinic	HMDB
N-(4-Amino-4-carboxybutyl)amidino-L-aspartic acid	HMDB

Chemical Formula

C₁₀H₁₈N₄O₆

Average Molecular Weight

290.2731

Monoisotopic Molecular Weight

290.122634328

IUPAC Name

(2S)-2-{N'-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid

Traditional Name

argininosuccinic acid

CAS Registry Number

2387-71-5

SMILES

N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

InChI Key

KDZOASGQNOPSCU-WDSKDSINSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Aspartic acid and derivatives

Alternative Parents

Substituents

Aspartic acid or derivatives
Alpha-amino acid
L-alpha-amino acid
Tricarboxylic acid or derivatives
Guanidine
Amino acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Carboxylic acid
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Organic nitrogen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Other amino acids (C03406 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Baker	169.071	30932474
[M+H]+	Baker	167.395	30932474
[M+H]+	MetCCS_train_pos	163.929	30932474
[M-H]-	Not Available	165.9	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000004
[M+H]+	Not Available	165.8	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000004

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.46 g/L	ALOGPS
logP	-3.2	ALOGPS
logP	-5.8	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	2.14	ChemAxon
pKa (Strongest Basic)	12.39	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	185.83 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	75.31 m³·mol⁻¹	ChemAxon
Polarizability	27.6 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	168.497	31661259
DarkChem	[M-H]-	165.068	31661259
AllCCS	[M+H]+	162.599	32859911
AllCCS	[M-H]-	164.205	32859911
DeepCCS	[M+H]+	166.002	30932474
DeepCCS	[M-H]-	163.644	30932474
DeepCCS	[M-2H]-	196.616	30932474
DeepCCS	[M+Na]+	172.258	30932474
AllCCS	[M+H]+	162.6	32859911
AllCCS	[M+H-H2O]+	159.7	32859911
AllCCS	[M+NH4]+	165.3	32859911
AllCCS	[M+Na]+	166.0	32859911
AllCCS	[M-H]-	164.2	32859911
AllCCS	[M+Na-2H]-	164.5	32859911
AllCCS	[M+HCOO]-	164.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Argininosuccinic acid	N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O	4082.6	Standard polar	33892256
Argininosuccinic acid	N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O	2434.3	Standard non polar	33892256
Argininosuccinic acid	N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O	3162.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Argininosuccinic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O	2863.6	Semi standard non polar	33892256
Argininosuccinic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@H](N)C(=O)O	2843.5	Semi standard non polar	33892256
Argininosuccinic acid,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O	2801.8	Semi standard non polar	33892256
Argininosuccinic acid,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O	2921.6	Semi standard non polar	33892256
Argininosuccinic acid,1TMS,isomer #5	C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N[C@@H](CC(=O)O)C(=O)O	2898.7	Semi standard non polar	33892256
Argininosuccinic acid,1TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	2829.6	Semi standard non polar	33892256
Argininosuccinic acid,1TMS,isomer #7	C[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)O)[C@@H](CC(=O)O)C(=O)O	2878.2	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	2811.6	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2770.0	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	2844.0	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	2869.6	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2805.9	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	2751.5	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2804.8	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #16	C[Si](C)(C)N([C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	3030.6	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	2934.2	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #18	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	2846.5	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	2925.6	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	2823.1	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #20	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	2824.0	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #21	C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2852.4	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #22	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2795.5	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	2911.1	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	2835.2	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #5	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2776.7	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #6	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)O	2851.6	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2795.3	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	2897.0	Semi standard non polar	33892256
Argininosuccinic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	2832.9	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2801.8	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3011.7	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	2894.4	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #12	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2826.9	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	2876.1	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2753.1	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2813.6	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #16	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	2796.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2874.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2798.7	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #19	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2758.9	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2874.5	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2796.3	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3014.3	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2900.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #23	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2833.1	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #24	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2888.7	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #25	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2771.0	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2824.6	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #27	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	2792.7	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2994.9	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2866.7	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2774.4	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #30	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	2815.5	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #31	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2865.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #32	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2776.5	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2811.1	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #34	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2765.5	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #35	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[C@@H](CC(=O)O)C(=O)O	3042.9	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #36	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	2962.7	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #37	C[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O	3004.8	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #38	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2869.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2899.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #4	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2759.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #40	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2850.8	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #41	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2819.6	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2802.7	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2892.4	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C	2794.2	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #8	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2748.5	Semi standard non polar	33892256
Argininosuccinic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2819.3	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2845.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2532.0	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4446.4	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2776.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2650.4	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4558.8	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #11	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2751.3	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #11	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2396.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #11	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4579.6	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3001.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2614.4	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4457.6	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2871.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2609.4	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4324.5	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2806.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2457.3	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4474.4	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #15	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2847.6	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #15	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2613.3	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #15	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4305.1	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2717.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2400.0	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4691.8	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2801.4	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2653.6	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4724.7	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #18	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	2758.8	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #18	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	2390.8	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #18	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C	4707.8	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2968.2	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2718.2	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4334.1	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2773.1	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2555.2	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4625.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2939.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2574.3	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	4488.8	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2999.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2726.3	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4345.0	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #22	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2852.1	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #22	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2449.6	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #22	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4361.2	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #23	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2847.8	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #23	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2719.1	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #23	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4290.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2811.7	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2469.1	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4302.6	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2764.7	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2547.8	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4516.6	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2997.8	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2587.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4374.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2856.4	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2593.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4199.0	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2807.8	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2449.5	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	4360.4	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2843.7	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2593.4	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4193.8	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2739.1	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2410.6	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4715.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #30	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2761.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #30	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2369.6	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #30	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4503.6	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2800.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2625.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4519.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #32	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2730.8	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #32	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2377.0	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #32	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4495.0	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2987.9	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2692.3	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4282.3	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #34	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2951.2	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #34	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2557.3	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #34	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	4425.4	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3014.7	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2699.5	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4293.3	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #36	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2863.4	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #36	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2437.7	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #36	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4272.6	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2873.6	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2694.4	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4230.8	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #38	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2835.9	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #38	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2446.6	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #38	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4242.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #39	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2788.8	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #39	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2516.8	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #39	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4458.5	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2799.6	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2556.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4629.2	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3005.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2690.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #40	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4253.3	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #41	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	2931.7	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #41	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	2542.6	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #41	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O	4398.2	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2976.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2679.8	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4253.2	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #43	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2836.4	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #43	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2433.1	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #43	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4223.4	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #44	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2859.1	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #44	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2692.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #44	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4157.4	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #45	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2818.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #45	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2446.1	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #45	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	4176.5	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #46	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2785.3	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #46	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2496.7	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #46	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	4297.6	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #47	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2978.6	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #47	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2573.9	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #47	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4344.5	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #48	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2989.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #48	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2803.3	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #48	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	4295.1	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #49	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2948.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #49	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2569.1	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #49	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	4290.0	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2994.5	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2614.1	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4387.1	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #50	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2853.7	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #50	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2604.0	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #50	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	4067.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2847.0	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2620.7	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4242.0	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #7	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2805.3	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #7	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2466.2	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #7	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	4415.5	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2813.9	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2616.7	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4242.9	Standard polar	33892256
Argininosuccinic acid,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2705.3	Semi standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2400.7	Standard non polar	33892256
Argininosuccinic acid,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4535.0	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2945.7	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2617.0	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4088.3	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2956.0	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2712.9	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3959.1	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #11	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2782.0	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #11	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2435.9	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #11	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3927.5	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2802.6	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2713.2	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3851.4	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #13	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2750.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #13	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2464.1	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #13	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3881.1	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #14	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2733.7	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #14	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2516.7	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #14	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4099.6	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2933.6	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2711.5	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3973.5	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2894.6	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2555.7	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4137.7	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2968.5	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2711.8	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3998.5	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #18	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2799.3	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #18	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2441.6	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #18	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3973.8	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2832.9	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2713.2	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3912.9	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2819.5	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2630.2	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3885.3	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2770.0	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2460.4	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3934.8	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #21	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2722.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #21	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2547.0	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #21	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4240.9	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #22	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2918.6	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #22	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2558.9	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #22	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4006.4	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #23	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2970.5	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #23	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2814.0	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #23	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4006.5	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #24	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2973.9	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #24	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2543.1	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #24	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4061.2	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2816.4	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2608.5	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3771.1	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2944.4	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2687.7	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3904.7	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #27	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2903.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #27	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	2534.0	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #27	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	4065.8	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2967.8	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2693.1	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3920.3	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #29	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2796.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #29	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2426.3	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #29	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3852.3	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2748.4	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2482.1	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4059.9	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2834.4	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2699.8	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3793.0	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #31	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2775.6	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #31	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2449.2	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #31	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3824.5	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #32	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2762.0	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #32	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2499.3	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #32	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4049.0	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #33	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2940.8	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #33	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2543.9	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #33	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3951.1	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2995.3	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2799.1	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3949.2	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #35	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2985.4	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #35	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2538.0	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #35	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3984.0	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #36	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2839.5	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #36	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2588.3	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #36	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3706.2	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #37	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2965.7	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #37	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2518.1	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #37	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3975.0	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2993.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2785.3	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #38	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3923.9	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #39	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2932.5	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #39	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2524.8	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #39	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	3929.6	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2797.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2633.6	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3864.4	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #40	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2824.0	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #40	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2574.2	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #40	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	3648.3	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #41	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2976.5	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #41	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2696.6	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #41	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	3794.2	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #5	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2686.7	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #5	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2408.0	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #5	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4319.0	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2771.8	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2661.3	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4333.9	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #7	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2715.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #7	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2393.1	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #7	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4337.4	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2913.4	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2704.4	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3953.7	Standard polar	33892256
Argininosuccinic acid,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2888.1	Semi standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	2542.7	Standard non polar	33892256
Argininosuccinic acid,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	4116.4	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2919.0	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2730.6	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3643.7	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #10	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2921.4	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #10	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2539.8	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #10	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3703.9	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #11	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2765.3	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #11	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2610.2	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #11	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3388.4	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #12	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2879.4	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #12	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2572.8	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #12	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3676.3	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #13	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2973.0	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #13	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2823.3	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #13	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3658.6	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #14	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2934.7	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #14	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2562.1	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #14	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3716.3	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #15	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2778.5	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #15	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2625.6	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #15	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3433.5	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #16	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2956.3	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #16	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2707.5	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #16	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3545.6	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2885.9	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2547.4	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3605.1	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2980.6	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2806.1	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3585.5	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #19	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2923.9	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #19	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2536.5	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #19	C[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3638.9	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2855.7	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2570.9	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3825.3	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #20	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2789.7	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #20	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2599.3	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #20	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3327.2	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #21	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2976.0	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #21	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2693.0	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #21	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3483.0	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #22	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2969.4	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #22	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	2669.1	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #22	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C	3463.6	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2947.0	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.5	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3667.6	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #4	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2748.0	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #4	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2485.5	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #4	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3590.3	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2817.0	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2740.6	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3505.4	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2733.3	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2510.4	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3554.9	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2697.7	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2554.9	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3899.3	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #8	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2872.2	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #8	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2560.2	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #8	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3661.2	Standard polar	33892256
Argininosuccinic acid,6TMS,isomer #9	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2960.8	Semi standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #9	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2816.6	Standard non polar	33892256
Argininosuccinic acid,6TMS,isomer #9	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3640.8	Standard polar	33892256
Argininosuccinic acid,7TMS,isomer #1	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2886.6	Semi standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #1	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2614.9	Standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #1	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3381.2	Standard polar	33892256
Argininosuccinic acid,7TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2994.0	Semi standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2848.2	Standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3369.9	Standard polar	33892256
Argininosuccinic acid,7TMS,isomer #3	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2927.7	Semi standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #3	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2592.2	Standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #3	C[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3415.1	Standard polar	33892256
Argininosuccinic acid,7TMS,isomer #4	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2758.1	Semi standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #4	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2665.5	Standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #4	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3129.0	Standard polar	33892256
Argininosuccinic acid,7TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2943.7	Semi standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2711.7	Standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3246.8	Standard polar	33892256
Argininosuccinic acid,7TMS,isomer #6	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2953.6	Semi standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #6	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2735.4	Standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #6	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3254.9	Standard polar	33892256
Argininosuccinic acid,7TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2946.9	Semi standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2703.2	Standard non polar	33892256
Argininosuccinic acid,7TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3194.3	Standard polar	33892256
Argininosuccinic acid,8TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2963.5	Semi standard non polar	33892256
Argininosuccinic acid,8TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2770.7	Standard non polar	33892256
Argininosuccinic acid,8TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3083.4	Standard polar	33892256
Argininosuccinic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O	3136.7	Semi standard non polar	33892256
Argininosuccinic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@H](N)C(=O)O	3112.7	Semi standard non polar	33892256
Argininosuccinic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O	3067.0	Semi standard non polar	33892256
Argininosuccinic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O	3142.4	Semi standard non polar	33892256
Argininosuccinic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N[C@@H](CC(=O)O)C(=O)O	3140.7	Semi standard non polar	33892256
Argininosuccinic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	3063.3	Semi standard non polar	33892256
Argininosuccinic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)O)[C@@H](CC(=O)O)C(=O)O	3127.2	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3305.7	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3244.5	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3298.7	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3324.2	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3253.1	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O	3213.9	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3251.8	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N([C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3450.4	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3354.4	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	3282.2	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3340.7	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3314.9	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3256.4	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3282.7	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3220.3	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3376.5	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3303.4	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3254.6	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3316.1	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3270.3	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3356.9	Semi standard non polar	33892256
Argininosuccinic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3300.2	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3490.5	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3649.8	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3554.8	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3493.7	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3524.6	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3414.4	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3483.4	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3460.6	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3522.8	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3456.9	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3422.7	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3549.3	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3455.4	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3639.5	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3542.1	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3485.5	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3527.4	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3420.6	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3482.5	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3453.6	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3629.2	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3499.4	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3453.6	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O	3450.3	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3493.5	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3409.7	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3444.0	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3389.8	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[C@@H](CC(=O)O)C(=O)O	3625.7	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O	3571.9	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O	3602.6	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3483.3	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3511.3	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3431.2	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3452.2	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3417.3	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3469.2	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3573.9	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3471.2	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3424.3	Semi standard non polar	33892256
Argininosuccinic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3495.0	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3718.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3198.0	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4240.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3649.6	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3305.7	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4403.2	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3603.8	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2998.8	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4410.4	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3850.1	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3251.7	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4280.6	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3728.7	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3257.2	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4203.6	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3652.3	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3042.0	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4244.5	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3699.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3262.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4178.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3575.5	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3020.9	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4480.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3673.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3320.2	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4513.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3622.3	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2997.7	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	4504.0	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3813.7	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3306.6	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4205.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3597.5	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3232.2	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4448.2	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3798.1	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3128.9	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4259.3	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3852.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3321.6	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4220.0	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3692.0	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3012.9	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4199.5	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3721.1	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3333.4	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4193.3	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3646.3	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3026.7	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4152.8	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3622.0	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3158.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4372.9	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3831.9	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3238.5	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4232.5	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3686.9	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3245.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4122.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3620.1	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3039.6	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4167.5	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3665.6	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3244.6	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4104.8	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3570.7	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3026.6	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4491.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3601.8	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2980.5	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4364.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3651.0	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3296.8	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4376.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3565.4	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2992.8	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4346.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3823.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3298.5	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4172.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3795.3	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3115.7	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4226.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3851.6	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3302.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4195.9	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3700.1	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3006.9	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4148.3	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3727.5	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3326.4	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4159.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3659.5	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3019.2	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4116.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3630.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3147.7	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4337.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3636.0	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3233.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4459.4	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3828.1	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3308.5	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4161.4	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O	3772.9	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O	3119.6	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O	4203.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3807.1	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3286.5	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4153.8	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3641.9	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3007.1	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4113.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3694.3	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3311.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4108.5	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3618.9	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3007.9	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4075.0	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3598.0	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3117.8	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4239.5	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3792.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3105.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4191.1	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3806.0	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3378.2	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4194.3	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3776.2	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3095.2	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4148.4	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3835.5	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3259.7	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4226.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3680.9	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3165.4	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4034.6	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3687.8	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3265.8	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4144.8	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3629.6	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3050.1	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4198.7	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3659.6	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3254.3	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4136.6	Standard polar	33892256
Argininosuccinic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3563.4	Semi standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2999.6	Standard non polar	33892256
Argininosuccinic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4375.5	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4007.8	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3399.9	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4098.9	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4024.6	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3475.4	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4012.7	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3795.4	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3162.1	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3980.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3859.9	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3471.8	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3957.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3760.5	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3181.6	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3942.9	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3773.0	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3269.6	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4158.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4014.0	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3466.5	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4022.4	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3962.5	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3263.4	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4089.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4051.6	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3464.0	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4047.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3843.2	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3161.2	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4008.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3908.9	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3479.1	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3993.9	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3835.8	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3403.2	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3997.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3800.0	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3188.8	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3972.5	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3796.8	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3306.1	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4241.5	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3983.5	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3251.5	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4008.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4033.6	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3537.7	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4026.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4027.9	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3241.4	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4049.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3862.2	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3316.1	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3902.7	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4002.2	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3454.6	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3981.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3947.8	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3258.6	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4046.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4032.5	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3455.8	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4001.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3800.7	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3157.3	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3937.9	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3765.6	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3202.7	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4048.6	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3870.9	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3469.2	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3927.3	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3770.0	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3181.2	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.7	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3782.3	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3269.8	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4122.5	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4000.1	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3247.9	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3971.4	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4050.1	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3535.5	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=N)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3994.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4040.2	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3232.9	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4004.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3881.2	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3314.3	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3861.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3998.6	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3233.1	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O)C(=O)O)N(CCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3990.9	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4030.9	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3527.2	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3972.1	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3970.0	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3237.7	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3955.7	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3786.2	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3412.9	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3976.5	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3825.8	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3294.1	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3828.4	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3994.9	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3369.9	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3905.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3691.6	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3156.2	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4255.8	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3815.9	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3453.5	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=N)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4272.2	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3753.0	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3125.5	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4281.0	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3987.4	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3460.9	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4011.4	Standard polar	33892256
Argininosuccinic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3950.5	Semi standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3269.1	Standard non polar	33892256
Argininosuccinic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4071.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Argininosuccinic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0007-0921100000-638b5887a29712423afd	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-8790000000-bc8aa39ecc71a1589298	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (3 TMS) - 70eV, Positive	splash10-0006-4101900000-c606d87ec7ffb8ef2cfa	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Argininosuccinic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF	splash10-000i-0090000000-27e7b2225bca7ed0bfef	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF	splash10-00di-0390000000-b66871354ad66743ff5f	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF	splash10-001i-1910000000-777b6f2263b573f38bca	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF	splash10-001i-3900000000-26d6466903550c40fde6	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF	splash10-001r-8900000000-4e5455a5af85574ac9df	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF	splash10-0006-0090000000-79b7ca9043632dc877e1	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF	splash10-0006-0590000000-8fb4f4625f241d387e92	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF	splash10-06di-3910000000-55530a4477a3fde8c1c1	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF	splash10-00di-9200000000-413c3029964c0386047a	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF	splash10-00di-9000000000-6ffc3b2b5da5f69de80b	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-060r-0950000000-129ee81e1370707d975d	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-0a4i-0910000000-62431d9967ced6c96b28	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-03di-1980000000-27b5f442d411115ebaab	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-0a4i-1900000000-b57bcbf0c07e921767af	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-0006-3900000000-1fce5114c61349fc9065	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-014i-0900000000-25c094a4a18cfe463b6b	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-00di-9200000000-e518e242f12e95bbddf9	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-00di-9000000000-932dfd009a8e5c41ec38	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Argininosuccinic acid LC-ESI-QQ , negative-QTOF	splash10-000i-0090000000-27e7b2225bca7ed0bfef	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Argininosuccinic acid 10V, Positive-QTOF	splash10-00dj-0190000000-8ba86e35661de03d1049	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Argininosuccinic acid 20V, Positive-QTOF	splash10-0092-2890000000-966d24fb4f820888318e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Argininosuccinic acid 40V, Positive-QTOF	splash10-004i-4900000000-5200a801423dd1a4b7a6	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Argininosuccinic acid 10V, Negative-QTOF	splash10-00ds-0290000000-a3397e8c303fc7e6bd83	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Argininosuccinic acid 20V, Negative-QTOF	splash10-00e9-0940000000-a964172e915808d27899	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Argininosuccinic acid 40V, Negative-QTOF	splash10-0ac3-8900000000-d4ac87f770202453bb7a	2017-09-01	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-17	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Kidney
Placenta
Prostate

Pathways

Name	SMPDB/PathBank	KEGG
Arginine and proline metabolism	Not Available
Aspartate Metabolism
Urea Cycle
Canavan Disease		Not Available
Hypoacetylaspartia		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	<2 uM	Infant (0-1 year old)	Male	Normal	12408190	details
Blood	Detected and Quantified	0-5 uM	Newborn (0-30 days old)	Both	Normal	BC Children's Hos...	details
Blood	Detected and Quantified	0-5 uM	Infant (1 - 3 months old)	Both	Normal	BC Children's Hos...	details
Blood	Detected and Quantified	0-5 uM	Children (3 months - 6 years old)	Both	Normal	BC Children's Hos...	details
Blood	Detected and Quantified	0-5 uM	Children (6 - 18 years old)	Both	Normal	BC Children's Hos...	details
Blood	Detected and Quantified	0-1 uM	Children (1 - 13 years old)	Both	Normal	Argininosuccinate...	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Urine	Detected and Quantified	<2.71 umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	Mayo Clinic	details
Urine	Detected and Quantified	<7.81 umol/mmol creatinine	Adolescent (13-18 years old)	Not Specified	Normal	Mayo Clinic	details
Urine	Detected and Quantified	<4 umol/mmol creatinine	Infant (0-1 year old)	Male	Normal	12408190	details
Urine	Detected and Quantified	0 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	21312326	details
Urine	Detected and Quantified	<1.70 umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	Mayo Clinic	details
Urine	Detected and Quantified	<8.71 umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	Mayo Clinic	details
Urine	Detected and Quantified	<0.433 umol/mmol creatinine	Not Specified	Not Specified	Normal	Geigy Scientific ...	details
Urine	Detected and Quantified	<5.43 umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	Mayo Clinic	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Male	Normal	32822159	details
Urine	Detected and Quantified	<4.19 umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	Mayo Clinic	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected and Quantified	0-99 umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	31506554	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	1515 uM	Infant (0-1 year old)	Male	Argininosuccinic aciduria (ASL)	12408190	details
Blood	Detected and Quantified	300.0 (270.0-458.0) uM	Children (1-13 years old)	Female	Argininosuccinyl-CoA lyase deficiency	8582405	details
Urine	Detected and Quantified	667 umol/mmol creatinine	Infant (0-1 year old)	Male	Argininosuccinic aciduria (ASL)	12408190	details
Urine	Detected and Quantified	0.65 (0.0-1.3) umol/mmol creatinine	Children (1-13 years old)	Both	Argininemia	MetaGene: Metabol...	details
Urine	Detected and Quantified	1542.00 umol/mmol creatinine	Adult (>18 years old)	Both	Argininosuccinic aciduria (ASL)	5075233	details

Associated Disorders and Diseases

Disease References

Argininosuccinyl-CoA lyase deficiency
Renner C, Sewell AC, Bervoets K, Forster H, Bohles H: Sodium citrate supplementation in inborn argininosuccinate lyase deficiency: a study in a 5-year-old patient under total parenteral nutrition. Eur J Pediatr. 1995 Nov;154(11):909-14. [PubMed:8582405 ]
Argininemia
G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de). METAGENE consortium.
Argininosuccinic aciduria
Lee CR, Pollitt RJ: New derivatives of argininosuccinic acid in the urine of a patient with argininosuccinicaciduria. Biochem J. 1972 Jan;126(1):79-87. [PubMed:5075233 ] Kleijer WJ, Garritsen VH, Linnebank M, Mooyer P, Huijmans JG, Mustonen A, Simola KO, Arslan-Kirchner M, Battini R, Briones P, Cardo E, Mandel H, Tschiedel E, Wanders RJ, Koch HG: Clinical, enzymatic, and molecular genetic characterization of a biochemical variant type of argininosuccinic aciduria: prenatal and postnatal diagnosis in five unrelated families. J Inherit Metab Dis. 2002 Sep;25(5):399-410. [PubMed:12408190 ]

Associated OMIM IDs

207800 (Argininemia)
207900 (Argininosuccinic aciduria)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Argininosuccinic acid

METLIN ID

5115

PubChem Compound

16950

PDB ID

Not Available

ChEBI ID

15682

Food Biomarker Ontology

Not Available

VMH ID

ARGSUC

MarkerDB ID

MDB00000025

Good Scents ID

Not Available

References

Synthesis Reference

Hagino, Koji; Nakanishi, Toshihide. Fermentative production of L-arginosuccinic acid. Jpn. Kokai Tokkyo Koho (1980), 3 pp.

Material Safety Data Sheet (MSDS)

Not Available

General References

Kleijer WJ, Garritsen VH, Linnebank M, Mooyer P, Huijmans JG, Mustonen A, Simola KO, Arslan-Kirchner M, Battini R, Briones P, Cardo E, Mandel H, Tschiedel E, Wanders RJ, Koch HG: Clinical, enzymatic, and molecular genetic characterization of a biochemical variant type of argininosuccinic aciduria: prenatal and postnatal diagnosis in five unrelated families. J Inherit Metab Dis. 2002 Sep;25(5):399-410. [PubMed:12408190 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Michels VV, Beaudet AL: Arginase deficiency in multiple tissues in argininemia. Clin Genet. 1978 Jan;13(1):61-7. [PubMed:624188 ]
Glick NR, Snodgrass PJ, Schafer IA: Neonatal argininosuccinic aciduria with normal brain and kidney but absent liver argininosuccinate lyase activity. Am J Hum Genet. 1976 Jan;28(1):22-30. [PubMed:174426 ]
Pelli N, Fensom AH, Slade C, Boa F, Mieli-Vergani G, Vergani D: Argininosuccinate lyase: a new autoantigen in liver disease. Clin Exp Immunol. 1998 Dec;114(3):455-61. [PubMed:9844057 ]
Scaglia F, Brunetti-Pierri N, Kleppe S, Marini J, Carter S, Garlick P, Jahoor F, O'Brien W, Lee B: Clinical consequences of urea cycle enzyme deficiencies and potential links to arginine and nitric oxide metabolism. J Nutr. 2004 Oct;134(10 Suppl):2775S-2782S; discussion 2796S-2797S. [PubMed:15465784 ]
Cohen BD: Methyl group deficiency and guanidino production in uremia. Mol Cell Biochem. 2003 Feb;244(1-2):31-6. [PubMed:12701806 ]
Au WL, Lim TC, Seow DC, Koh PL, Loh NK, Lim MS, Tan IK, Yee WC: Serial diffusion-weighted magnetic resonance imaging in adult-onset citrullinaemia. J Neurol Sci. 2003 May 15;209(1-2):101-4. [PubMed:12686410 ]
Wasant P, Srisomsap C, Liammongkolkul S, Svasti J: Urea cycle disorders in Thai infants: a report of 5 cases. J Med Assoc Thai. 2002 Aug;85 Suppl 2:S720-31. [PubMed:12403252 ]
Reid Sutton V, Pan Y, Davis EC, Craigen WJ: A mouse model of argininosuccinic aciduria: biochemical characterization. Mol Genet Metab. 2003 Jan;78(1):11-6. [PubMed:12559843 ]
Fleisher LD, Rassin DK, Desnick RJ, Salwen HR, Rogers P, Bean M, Gaull GE: Argininosuccinic aciduria: prenatal studies in a family at risk. Am J Hum Genet. 1979 Jul;31(4):439-45. [PubMed:484552 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details

1. Adenylosuccinate lyase

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: ADSL
Uniprot ID:: P30566
Molecular weight:: 54888.735

Enzyme Details

2. Argininosuccinate synthase

General function:: Involved in argininosuccinate synthase activity
Specific function:: Not Available
Gene Name:: ASS1
Uniprot ID:: P00966
Molecular weight:: 46530.055

Reactions

Adenosine triphosphate + Citrulline + L-Aspartic acid → Adenosine monophosphate + Pyrophosphate + Argininosuccinic acid	details
Adenosine triphosphate + Citrulline + L-Aspartic acid → Adenosine monophosphate + Pyrophosphate + Argininosuccinic acid	details

Enzyme Details

3. Argininosuccinate lyase

General function:: Involved in argininosuccinate lyase activity
Specific function:: Not Available
Gene Name:: ASL
Uniprot ID:: P04424
Molecular weight:: 51657.505

Reactions

Argininosuccinic acid → Fumaric acid + L-Arginine	details

Enzyme Details

4. Cholinephosphotransferase 1

General function:: Involved in phosphotransferase activity, for other substituted phosphate groups
Specific function:: Catalyzes phosphatidylcholine biosynthesis from CDP-choline. It thereby plays a central role in the formation and maintenance of vesicular membranes.
Gene Name:: CHPT1
Uniprot ID:: Q8WUD6
Molecular weight:: 45096.535

References

O KM, Choy PC: Effects of fasting on phosphatidylcholine biosynthesis in hamster liver: regulation of cholinephosphotransferase activity by endogenous argininosuccinate. Biochem J. 1993 Feb 1;289 ( Pt 3):727-33. [PubMed:8382048 ]

Enzyme Details

5. Argininosuccinate synthase

General function:: Involved in argininosuccinate synthase activity
Specific function:: ATP + L-citrulline + L-aspartate = AMP + diphosphate + N(omega)-(L-arginino)succinate
Gene Name:: ASS1
Uniprot ID:: Q5T6L4
Molecular weight:: 46530.1

Showing metabocard for Argininosuccinic acid (HMDB0000052)

MOL for HMDB0000052 (Argininosuccinic acid)

3D MOL for HMDB0000052 (Argininosuccinic acid)

3D SDF for HMDB0000052 (Argininosuccinic acid)

3D-SDF for HMDB0000052 (Argininosuccinic acid)

PDB for HMDB0000052 (Argininosuccinic acid)

3D PDB for HMDB0000052 (Argininosuccinic acid)

SMILES for HMDB0000052 (Argininosuccinic acid)

INCHI for HMDB0000052 (Argininosuccinic acid)

Structure for HMDB0000052 (Argininosuccinic acid)

3D Structure for HMDB0000052 (Argininosuccinic acid)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

References