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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (5) Show 5 proteins XML

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

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 8582405)

Excreta

Biofluid or Excreta

Urine (PMID: 5075233)
Feces (PMID: 29808030)

Cellular substructure

Cytoplasm (HMDB: HMDB0000052)
Membrane (HMDB: HMDB0000052)

Prostate (HMDB: HMDB0000052)
Kidney (HMDB: HMDB0000052)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Aspartate Metabolism (HMDB: HMDB0000052)
Arginine and Proline Metabolism (HMDB: HMDB0000052)
Urea Cycle (HMDB: HMDB0000052)
Arginine Metabolism (PathBank: SMP0000812)
Proline Metabolism (PathBank: SMP0002420)

Disease pathway

Prolidase Deficiency (PD) (PathBank: SMP0000207)
Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency) (PathBank: SMP0000362)
Hyperprolinemia Type II (PathBank: SMP0000360)
Hyperprolinemia Type I (PathBank: SMP0000361)
Prolinemia Type II (PathBank: SMP0000208)
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency) (PathBank: SMP0000188)
Ornithine Aminotransferase Deficiency (OAT Deficiency) (PathBank: SMP0000363)
Canavan Disease (PathBank: SMP0000175)
Hypoacetylaspartia (PathBank: SMP0000192)
Argininemia (PathBank: SMP0000357)
Argininosuccinic Aciduria (PathBank: SMP0000003)
Citrullinemia Type I (PathBank: SMP0000001)
Ornithine Transcarbamylase Deficiency (OTC Deficiency) (PathBank: SMP0000205)
Carbamoyl Phosphate Synthetase Deficiency (PathBank: SMP0000002)
Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency (PathBank: SMP0000504)
Hyperornithinemia with Gyrate Atrophy (HOGA) (PathBank: SMP0000505)
Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome] (PathBank: SMP0000506)
L-Arginine:Glycine Amidinotransferase Deficiency (PathBank: SMP0000507)
Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome] (PathBank: SMP0120571)

Role

Industrial application

Pharmaceutical industry

Biomarker

Argininosuccinic aciduria (MarkerDB: MDB00000025)

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

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