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Showing metabocard for Arginine chloromethyl ketone (HMDB0244930)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:03:06 UTC
Update Date2021-09-26 22:53:03 UTC
HMDB IDHMDB0244930
Secondary Accession NumbersNone
Metabolite Identification
Common NameArginine chloromethyl ketone
DescriptionArginine chloromethyl ketone belongs to the class of organic compounds known as alpha-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the alpha carbon atom relative to C=O group. Based on a literature review a significant number of articles have been published on Arginine chloromethyl ketone. This compound has been identified in human blood as reported by (PMID: 31557052 ). Arginine chloromethyl ketone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Arginine chloromethyl ketone is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0244930 (Arginine chloromethyl ketone)


  Mrv1652309112100032D          

 13 12  0  0  0  0            999 V2000
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
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3D MOL for HMDB0244930 (Arginine chloromethyl ketone)

HMDB0244930
     RDKit          3D
Arginine chloromethyl ketone
 28 27  0  0  0  0  0  0  0  0999 V2000
   -4.7058    0.9864    0.0813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5888    0.2210    0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6820   -1.1690    0.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4815    0.8540    0.6635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832    0.1654    1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    0.4962    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   -0.1717    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.2431   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360   -0.2861   -1.9213 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723   -0.3741   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7567   -1.3314   -1.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489    0.1299    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5236    1.5245    1.4042 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1494    0.7700   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0899    1.7400    0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7936   -1.8792   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6366   -1.5039    1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497    0.5130    2.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549   -0.9278    1.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222    1.5801   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.0778   -0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    0.1280    1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335   -1.2867    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    1.3250   -0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742   -0.2591   -2.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -1.2725   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2316    0.3602    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3905   -0.6531    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 12 27  1  0
 12 28  1  0
M  END
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3D SDF for HMDB0244930 (Arginine chloromethyl ketone)


  Mrv1652309112100032D          

 13 12  0  0  0  0            999 V2000
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0244930

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCCN=C(N)N)C(=O)CCl

> <INCHI_IDENTIFIER>
InChI=1S/C7H15ClN4O/c8-4-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,9H2,(H4,10,11,12)

> <INCHI_KEY>
VNDNKFJKUBLYQB-UHFFFAOYSA-N

> <FORMULA>
C7H15ClN4O

> <MOLECULAR_WEIGHT>
206.67

> <EXACT_MASS>
206.0934388

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
21.14742533988494

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N''-(4-amino-6-chloro-5-oxohexyl)guanidine

> <ALOGPS_LOGP>
-0.80

> <JCHEM_LOGP>
-0.6759154193333332

> <ALOGPS_LOGS>
-1.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.4363219149819

> <JCHEM_PKA_STRONGEST_BASIC>
11.716735809512773

> <JCHEM_POLAR_SURFACE_AREA>
107.49

> <JCHEM_REFRACTIVITY>
51.934599999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N''-(4-amino-6-chloro-5-oxohexyl)guanidine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0244930 (Arginine chloromethyl ketone)

HMDB0244930
     RDKit          3D
Arginine chloromethyl ketone
 28 27  0  0  0  0  0  0  0  0999 V2000
   -4.7058    0.9864    0.0813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5888    0.2210    0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6820   -1.1690    0.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4815    0.8540    0.6635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832    0.1654    1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    0.4962    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0962   -0.1717    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.2431   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360   -0.2861   -1.9213 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723   -0.3741   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7567   -1.3314   -1.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489    0.1299    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5236    1.5245    1.4042 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1494    0.7700   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0899    1.7400    0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7936   -1.8792   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6366   -1.5039    1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497    0.5130    2.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4549   -0.9278    1.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222    1.5801   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.0778   -0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    0.1280    1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335   -1.2867    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    1.3250   -0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742   -0.2591   -2.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -1.2725   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2316    0.3602    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3905   -0.6531    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 12 27  1  0
 12 28  1  0
M  END
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PDB for HMDB0244930 (Arginine chloromethyl ketone)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    7 Cl   UNK     0       1.953   2.667   0.000  0.00  0.00          Cl+0
HETATM    8  N   UNK     0       5.954   4.977   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      11.288   3.437   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      12.622   2.667   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      13.956   3.437   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      12.622   1.127   0.000  0.00  0.00           N+0
CONECT    1    2    9                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6                                                            
CONECT    8    3                                                            
CONECT    9    1   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0244930 (Arginine chloromethyl ketone)

COMPND    HMDB0244930
HETATM    1  N1  UNL     1      -4.706   0.986   0.081  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.589   0.221   0.508  1.00  0.00           C  
HETATM    3  N2  UNL     1      -3.682  -1.169   0.754  1.00  0.00           N  
HETATM    4  N3  UNL     1      -2.481   0.854   0.663  1.00  0.00           N  
HETATM    5  C2  UNL     1      -1.283   0.165   1.096  1.00  0.00           C  
HETATM    6  C3  UNL     1      -0.216   0.496   0.053  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.096  -0.172   0.407  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.069   0.243  -0.709  1.00  0.00           C  
HETATM    9  N4  UNL     1       1.436  -0.286  -1.921  1.00  0.00           N  
HETATM   10  C6  UNL     1       3.372  -0.374  -0.457  1.00  0.00           C  
HETATM   11  O1  UNL     1       3.757  -1.331  -1.147  1.00  0.00           O  
HETATM   12  C7  UNL     1       4.249   0.130   0.617  1.00  0.00           C  
HETATM   13 CL1  UNL     1       3.524   1.525   1.404  1.00  0.00          CL  
HETATM   14  H1  UNL     1      -5.149   0.770  -0.858  1.00  0.00           H  
HETATM   15  H2  UNL     1      -5.090   1.740   0.658  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.794  -1.879  -0.002  1.00  0.00           H  
HETATM   17  H4  UNL     1      -3.637  -1.504   1.733  1.00  0.00           H  
HETATM   18  H5  UNL     1      -0.950   0.513   2.099  1.00  0.00           H  
HETATM   19  H6  UNL     1      -1.455  -0.928   1.168  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.122   1.580  -0.008  1.00  0.00           H  
HETATM   21  H8  UNL     1      -0.550   0.078  -0.925  1.00  0.00           H  
HETATM   22  H9  UNL     1       1.438   0.128   1.392  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.933  -1.287   0.328  1.00  0.00           H  
HETATM   24  H11 UNL     1       2.048   1.325  -0.786  1.00  0.00           H  
HETATM   25  H12 UNL     1       2.074  -0.259  -2.727  1.00  0.00           H  
HETATM   26  H13 UNL     1       1.085  -1.272  -1.764  1.00  0.00           H  
HETATM   27  H14 UNL     1       5.232   0.360   0.148  1.00  0.00           H  
HETATM   28  H15 UNL     1       4.390  -0.653   1.405  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3    4    4
CONECT    3   16   17
CONECT    4    5
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22   23
CONECT    8    9   10   24
CONECT    9   25   26
CONECT   10   11   11   12
CONECT   12   13   27   28
END
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SMILES for HMDB0244930 (Arginine chloromethyl ketone)

NC(CCCN=C(N)N)C(=O)CCl
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INCHI for HMDB0244930 (Arginine chloromethyl ketone)

InChI=1S/C7H15ClN4O/c8-4-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,9H2,(H4,10,11,12)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Arg-chloromethyl ketoneHMDB
Chemical FormulaC7H15ClN4O
Average Molecular Weight206.67
Monoisotopic Molecular Weight206.0934388
IUPAC NameN''-(4-amino-6-chloro-5-oxohexyl)guanidine
Traditional NameN''-(4-amino-6-chloro-5-oxohexyl)guanidine
CAS Registry NumberNot Available
SMILES
NC(CCCN=C(N)N)C(=O)CCl
InChI Identifier
InChI=1S/C7H15ClN4O/c8-4-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,9H2,(H4,10,11,12)
InChI KeyVNDNKFJKUBLYQB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the alpha carbon atom relative to C=O group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlpha-amino ketones
Alternative Parents
Substituents
  • Alpha-haloketone
  • Alpha-chloroketone
  • Alpha-aminoketone
  • Guanidine
  • Carboximidamide
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Alkyl chloride
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Amine
  • Organic nitrogen compound
  • Alkyl halide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.8ALOGPS
logP-0.68ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)15.44ChemAxon
pKa (Strongest Basic)11.72ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area107.49 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.93 m³·mol⁻¹ChemAxon
Polarizability21.15 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+142.67830932474
DeepCCS[M-H]-138.88930932474
DeepCCS[M-2H]-176.39230932474
DeepCCS[M+Na]+151.9330932474
AllCCS[M+H]+144.932859911
AllCCS[M+H-H2O]+141.332859911
AllCCS[M+NH4]+148.232859911
AllCCS[M+Na]+149.132859911
AllCCS[M-H]-144.932859911
AllCCS[M+Na-2H]-146.332859911
AllCCS[M+HCOO]-148.032859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20229.2247 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20226.39 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid416.1 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid262.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid49.2 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid166.9 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid63.7 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid292.0 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid246.5 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)876.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid602.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid36.6 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid565.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid180.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid199.6 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate920.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA736.7 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water295.7 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Arginine chloromethyl ketoneNC(CCCN=C(N)N)C(=O)CCl2608.1Standard polar33892256
Arginine chloromethyl ketoneNC(CCCN=C(N)N)C(=O)CCl1705.6Standard non polar33892256
Arginine chloromethyl ketoneNC(CCCN=C(N)N)C(=O)CCl2127.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Arginine chloromethyl ketone,1TMS,isomer #1C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N2086.8Semi standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #1C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N1859.9Standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #1C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N4118.0Standard polar33892256
Arginine chloromethyl ketone,1TMS,isomer #2C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N2014.4Semi standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #2C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N1836.9Standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #2C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N4070.8Standard polar33892256
Arginine chloromethyl ketone,1TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N)N)C(=O)CCl2023.7Semi standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N)N)C(=O)CCl1885.4Standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N)N)C(=O)CCl3874.6Standard polar33892256
Arginine chloromethyl ketone,1TMS,isomer #4C[Si](C)(C)NC(N)=NCCCC(N)C(=O)CCl2130.7Semi standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #4C[Si](C)(C)NC(N)=NCCCC(N)C(=O)CCl1882.5Standard non polar33892256
Arginine chloromethyl ketone,1TMS,isomer #4C[Si](C)(C)NC(N)=NCCCC(N)C(=O)CCl4016.9Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N)N)=C(CCl)O[Si](C)(C)C2179.6Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N)N)=C(CCl)O[Si](C)(C)C2007.7Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N)N)=C(CCl)O[Si](C)(C)C3869.0Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)=C(CCl)O[Si](C)(C)C2216.4Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)=C(CCl)O[Si](C)(C)C1948.2Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)=C(CCl)O[Si](C)(C)C3929.7Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N)N)C(=CCl)O[Si](C)(C)C2047.3Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N)N)C(=CCl)O[Si](C)(C)C1906.2Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N)N)C(=CCl)O[Si](C)(C)C3734.0Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #4C[Si](C)(C)NC(N)=NCCCC(N)C(=CCl)O[Si](C)(C)C2160.9Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #4C[Si](C)(C)NC(N)=NCCCC(N)C(=CCl)O[Si](C)(C)C1862.9Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #4C[Si](C)(C)NC(N)=NCCCC(N)C(=CCl)O[Si](C)(C)C3865.0Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)CCl2158.5Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)CCl1932.4Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)CCl3645.3Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #6C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)CCl)[Si](C)(C)C2158.1Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #6C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)CCl)[Si](C)(C)C2039.7Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #6C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)CCl)[Si](C)(C)C3910.2Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N[Si](C)(C)C2236.9Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N[Si](C)(C)C1875.4Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N[Si](C)(C)C3774.2Standard polar33892256
Arginine chloromethyl ketone,2TMS,isomer #8C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)CCl)[Si](C)(C)C2167.0Semi standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #8C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)CCl)[Si](C)(C)C2080.0Standard non polar33892256
Arginine chloromethyl ketone,2TMS,isomer #8C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)CCl)[Si](C)(C)C3940.4Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C2308.2Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C2036.1Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C3617.4Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #10C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCl2200.6Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #10C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCl2094.5Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #10C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCl3440.0Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C2269.2Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C2053.7Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C3573.3Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #12C[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C2236.2Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #12C[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C2082.5Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #12C[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C3435.4Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #2C[Si](C)(C)OC(CCl)=C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C2276.5Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #2C[Si](C)(C)OC(CCl)=C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C2112.8Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #2C[Si](C)(C)OC(CCl)=C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C3825.5Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #3C[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C)N[Si](C)(C)C2339.6Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #3C[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C)N[Si](C)(C)C1910.7Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #3C[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C)N[Si](C)(C)C3606.6Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #4C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C2276.6Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #4C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C2098.2Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #4C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C3829.4Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C2195.1Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C1918.6Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C3475.4Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #6C[Si](C)(C)OC(=CCl)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C2201.2Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #6C[Si](C)(C)OC(=CCl)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C2044.1Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #6C[Si](C)(C)OC(=CCl)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C3696.3Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C)N[Si](C)(C)C2280.9Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C)N[Si](C)(C)C1827.7Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C)N[Si](C)(C)C3514.2Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #8C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C2193.5Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #8C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C2047.6Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #8C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C3734.8Standard polar33892256
Arginine chloromethyl ketone,3TMS,isomer #9C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)CCl)N[Si](C)(C)C2291.6Semi standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #9C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)CCl)N[Si](C)(C)C1914.1Standard non polar33892256
Arginine chloromethyl ketone,3TMS,isomer #9C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)CCl)N[Si](C)(C)C3289.5Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)N[Si](C)(C)C2445.9Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)N[Si](C)(C)C1989.2Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)N[Si](C)(C)C3190.9Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #10C[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2420.2Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #10C[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2032.9Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #10C[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C3104.2Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #11C[Si](C)(C)N(C(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2375.0Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #11C[Si](C)(C)N(C(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2199.1Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #11C[Si](C)(C)N(C(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3382.6Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #12C[Si](C)(C)N(C(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2297.0Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #12C[Si](C)(C)N(C(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2286.2Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #12C[Si](C)(C)N(C(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3078.0Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #2C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)=C(CCl)O[Si](C)(C)C2355.9Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #2C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)=C(CCl)O[Si](C)(C)C2148.0Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #2C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)=C(CCl)O[Si](C)(C)C3427.9Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2397.9Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2081.3Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3531.1Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #4C[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2385.7Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #4C[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2072.4Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #4C[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3289.8Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)N[Si](C)(C)C2323.0Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)N[Si](C)(C)C1859.3Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)N[Si](C)(C)C3046.7Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #6C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=CCl)O[Si](C)(C)C2223.8Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #6C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=CCl)O[Si](C)(C)C2082.2Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #6C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=CCl)O[Si](C)(C)C3301.6Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2326.6Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2029.7Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3423.3Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #8C[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2267.3Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #8C[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2030.7Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #8C[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3192.7Standard polar33892256
Arginine chloromethyl ketone,4TMS,isomer #9C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C2255.9Semi standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #9C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C2111.6Standard non polar33892256
Arginine chloromethyl ketone,4TMS,isomer #9C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C2831.9Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2421.5Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2130.5Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2788.0Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #10C[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2449.6Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #10C[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2216.3Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #10C[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2718.7Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #2C[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2508.4Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #2C[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2089.9Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #2C[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2993.4Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #3C[Si](C)(C)OC(CCl)=C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2474.8Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #3C[Si](C)(C)OC(CCl)=C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2204.3Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #3C[Si](C)(C)OC(CCl)=C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3363.4Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #4C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2415.7Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #4C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2260.7Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #4C[Si](C)(C)OC(CCl)=C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3001.9Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2272.9Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2062.2Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2682.9Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #6C[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2469.2Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #6C[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C1996.5Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #6C[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2914.5Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #7C[Si](C)(C)OC(=CCl)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2438.3Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #7C[Si](C)(C)OC(=CCl)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2184.4Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #7C[Si](C)(C)OC(=CCl)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3282.4Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #8C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2314.8Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #8C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2240.6Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #8C[Si](C)(C)OC(=CCl)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2918.4Standard polar33892256
Arginine chloromethyl ketone,5TMS,isomer #9C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCl2326.0Semi standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #9C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCl2297.9Standard non polar33892256
Arginine chloromethyl ketone,5TMS,isomer #9C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)CCl2475.4Standard polar33892256
Arginine chloromethyl ketone,6TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCl)O[Si](C)(C)C2459.0Semi standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCl)O[Si](C)(C)C2325.1Standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C(CCl)O[Si](C)(C)C2460.3Standard polar33892256
Arginine chloromethyl ketone,6TMS,isomer #2C[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2514.9Semi standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #2C[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2233.2Standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #2C[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2640.8Standard polar33892256
Arginine chloromethyl ketone,6TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=CCl)O[Si](C)(C)C2305.4Semi standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=CCl)O[Si](C)(C)C2271.8Standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #3C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=CCl)O[Si](C)(C)C2390.6Standard polar33892256
Arginine chloromethyl ketone,6TMS,isomer #4C[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2504.8Semi standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #4C[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2178.6Standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #4C[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2591.3Standard polar33892256
Arginine chloromethyl ketone,6TMS,isomer #5C[Si](C)(C)N(C(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2534.8Semi standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #5C[Si](C)(C)N(C(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2405.3Standard non polar33892256
Arginine chloromethyl ketone,6TMS,isomer #5C[Si](C)(C)N(C(=NCCCC(C(=O)CCl)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2398.5Standard polar33892256
Arginine chloromethyl ketone,7TMS,isomer #1C[Si](C)(C)OC(CCl)=C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2596.5Semi standard non polar33892256
Arginine chloromethyl ketone,7TMS,isomer #1C[Si](C)(C)OC(CCl)=C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2410.0Standard non polar33892256
Arginine chloromethyl ketone,7TMS,isomer #1C[Si](C)(C)OC(CCl)=C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2384.1Standard polar33892256
Arginine chloromethyl ketone,7TMS,isomer #2C[Si](C)(C)OC(=CCl)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2605.4Semi standard non polar33892256
Arginine chloromethyl ketone,7TMS,isomer #2C[Si](C)(C)OC(=CCl)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2382.6Standard non polar33892256
Arginine chloromethyl ketone,7TMS,isomer #2C[Si](C)(C)OC(=CCl)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2357.6Standard polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N2295.7Semi standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N2056.7Standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N4221.4Standard polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N2231.6Semi standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N2023.4Standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N4151.7Standard polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)CCl2230.8Semi standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)CCl2119.8Standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)CCl3972.6Standard polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)CCl2352.6Semi standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)CCl2096.1Standard non polar33892256
Arginine chloromethyl ketone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)CCl4045.0Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)=C(CCl)O[Si](C)(C)C(C)(C)C2609.2Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)=C(CCl)O[Si](C)(C)C(C)(C)C2355.3Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)=C(CCl)O[Si](C)(C)C(C)(C)C3876.0Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C2661.9Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C2299.7Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C3977.4Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=CCl)O[Si](C)(C)C(C)(C)C2499.1Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=CCl)O[Si](C)(C)C(C)(C)C2335.1Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=CCl)O[Si](C)(C)C(C)(C)C3760.2Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C2604.8Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C2250.4Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C3876.1Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl2591.6Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl2357.0Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl3657.0Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)CCl)[Si](C)(C)C(C)(C)C2539.2Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)CCl)[Si](C)(C)C(C)(C)C2460.7Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)CCl)[Si](C)(C)C(C)(C)C3897.9Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N[Si](C)(C)C(C)(C)C2667.9Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N[Si](C)(C)C(C)(C)C2279.6Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N[Si](C)(C)C(C)(C)C3615.9Standard polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)CCl)[Si](C)(C)C(C)(C)C2578.3Semi standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)CCl)[Si](C)(C)C(C)(C)C2477.8Standard non polar33892256
Arginine chloromethyl ketone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)CCl)[Si](C)(C)C(C)(C)C3922.3Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C2980.9Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C2463.6Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C3670.5Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCl2839.2Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCl2677.9Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCl3515.6Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2887.5Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2618.5Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3618.2Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2863.3Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2649.2Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3332.3Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCl)=C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2897.0Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCl)=C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2645.3Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCl)=C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3829.3Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2982.5Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2369.4Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3541.7Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2884.7Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2601.3Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3894.7Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C2845.8Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C2465.8Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C3570.1Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CCl)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2818.4Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CCl)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2659.7Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CCl)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3743.1Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2923.0Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2354.3Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3443.6Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2820.5Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2617.7Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3794.3Standard polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl)N[Si](C)(C)C(C)(C)C2936.6Semi standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl)N[Si](C)(C)C(C)(C)C2411.3Standard non polar33892256
Arginine chloromethyl ketone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl)N[Si](C)(C)C(C)(C)C3216.6Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3310.9Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2538.8Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3211.3Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3220.2Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2690.6Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3149.3Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3150.0Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2906.3Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3515.6Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3076.7Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2944.5Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=NCCCC(N)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3155.1Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C3186.1Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C2736.3Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C3570.3Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3238.5Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2702.1Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3613.7Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3179.0Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2717.0Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NCCCC(N)=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3352.7Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3144.4Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2537.1Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3129.4Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C3056.7Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C2784.7Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C3486.0Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3148.6Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2720.8Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3552.5Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3049.5Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2716.8Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3258.3Standard polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3106.1Semi standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2788.0Standard non polar33892256
Arginine chloromethyl ketone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3003.2Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3436.8Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2870.2Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3057.8Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3416.8Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3044.0Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2980.1Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3524.9Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2844.3Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3176.9Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCl)=C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3455.8Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCl)=C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2999.6Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCl)=C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3577.3Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3388.6Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3043.6Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCl)=C(N)CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3222.5Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3274.5Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2894.8Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2980.3Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3438.8Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2825.0Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3125.7Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=CCl)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3403.6Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=CCl)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3024.5Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=CCl)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3533.2Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3288.1Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3053.0Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CCl)C(N)CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3141.3Standard polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCl3323.5Semi standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCl3120.8Standard non polar33892256
Arginine chloromethyl ketone,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CCl2842.7Standard polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C3643.8Semi standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C3194.7Standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C2939.6Standard polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3695.1Semi standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3155.4Standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NCCCC(=C(CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3028.5Standard polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C3495.3Semi standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C3246.5Standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C2883.8Standard polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3633.8Semi standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3166.6Standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=CCl)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2988.9Standard polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3641.6Semi standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3376.1Standard non polar33892256
Arginine chloromethyl ketone,6TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=NCCCC(C(=O)CCl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2875.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Arginine chloromethyl ketone GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-9200000000-d486b6b66988419cd9c72021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Arginine chloromethyl ketone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine chloromethyl ketone 10V, Positive-QTOFsplash10-0a4i-0290000000-e61c5bf2366f7c00b42a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine chloromethyl ketone 20V, Positive-QTOFsplash10-01vn-5910000000-104a6568781f9b7ad72d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine chloromethyl ketone 40V, Positive-QTOFsplash10-00e9-9500000000-5c10ddaf433b45e3ca552021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine chloromethyl ketone 10V, Negative-QTOFsplash10-0a4i-3590000000-ece21db153a98e6bd96a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine chloromethyl ketone 20V, Negative-QTOFsplash10-001i-9400000000-0aedaf8c627fc37470772021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Arginine chloromethyl ketone 40V, Negative-QTOFsplash10-0536-9000000000-ae39c05cfbcd9f638d902021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID170232
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound196479
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]