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Showing metabocard for alpha-Acetyllysine (HMDB0247927)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 01:04:48 UTC
Update Date2021-09-26 22:57:52 UTC
HMDB IDHMDB0247927
Secondary Accession NumbersNone
Metabolite Identification
Common Namealpha-Acetyllysine
DescriptionSCHEMBL522663 belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Based on a literature review very few articles have been published on SCHEMBL522663. This compound has been identified in human blood as reported by (PMID: 31557052 ). Alpha-acetyllysine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically alpha-Acetyllysine 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 HMDB0247927 (alpha-Acetyllysine)


  Mrv1652309112103052D          

 13 12  0  0  0  0            999 V2000
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0247927 (alpha-Acetyllysine)

HMDB0247927
     RDKit          3D
alpha-Acetyllysine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.2690    1.7027   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    1.1038   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4601    1.5579    1.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658   -0.0228   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5302   -0.4278   -1.6479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930    0.4624    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -0.5834   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2913    0.0227    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385   -0.9476    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399   -0.2403    0.6551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -1.1500    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2694   -2.2086    0.0498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631   -1.0413    1.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    2.6764   -1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2638    1.9282   -0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340    1.0511   -1.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8341   -1.2201   -1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.7720   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173    0.7112    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.3555   -0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7256   -1.4829    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784   -0.9106   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319    0.3828    1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626    0.9061   -0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2639   -1.8477    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714   -1.1561   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5314   -0.1417    1.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6684    0.7037    0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255   -0.4118    2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  4 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 13 29  1  0
M  END
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3D SDF for HMDB0247927 (alpha-Acetyllysine)


  Mrv1652309112103052D          

 13 12  0  0  0  0            999 V2000
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247927

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)C(N)(CCCCN)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H16N2O3/c1-6(11)8(10,7(12)13)4-2-3-5-9/h2-5,9-10H2,1H3,(H,12,13)

> <INCHI_KEY>
BJTZATWAPRKXBV-UHFFFAOYSA-N

> <FORMULA>
C8H16N2O3

> <MOLECULAR_WEIGHT>
188.227

> <EXACT_MASS>
188.116092383

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
19.71626359281126

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-acetyl-2,6-diaminohexanoic acid

> <ALOGPS_LOGP>
-2.99

> <JCHEM_LOGP>
-2.837731270452978

> <ALOGPS_LOGS>
-1.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.784974139458843

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3074864163623

> <JCHEM_PKA_STRONGEST_BASIC>
10.007032683195892

> <JCHEM_POLAR_SURFACE_AREA>
106.41

> <JCHEM_REFRACTIVITY>
47.5601

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-acetyl-2,6-diaminohexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0247927 (alpha-Acetyllysine)

HMDB0247927
     RDKit          3D
alpha-Acetyllysine
 29 28  0  0  0  0  0  0  0  0999 V2000
   -3.2690    1.7027   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    1.1038   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4601    1.5579    1.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658   -0.0228   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5302   -0.4278   -1.6479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0930    0.4624    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -0.5834   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2913    0.0227    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385   -0.9476    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399   -0.2403    0.6551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -1.1500    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2694   -2.2086    0.0498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631   -1.0413    1.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    2.6764   -1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2638    1.9282   -0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340    1.0511   -1.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8341   -1.2201   -1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.7720   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173    0.7112    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.3555   -0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7256   -1.4829    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784   -0.9106   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319    0.3828    1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626    0.9061   -0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2639   -1.8477    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714   -1.1561   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5314   -0.1417    1.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6684    0.7037    0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255   -0.4118    2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  4 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 13 29  1  0
M  END
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PDB for HMDB0247927 (alpha-Acetyllysine)

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       0.206  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.540  -1.540   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.874  -2.310   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.540   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.874   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.874   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.207   4.620   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       4.207   6.160   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       3.080  -0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.850   1.334   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       3.850  -1.334   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   10   13                                             
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    4   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    4                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0247927 (alpha-Acetyllysine)

COMPND    HMDB0247927
HETATM    1  C1  UNL     1      -3.269   1.703  -1.056  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.402   1.104  -0.014  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.460   1.558   1.111  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.466  -0.023  -0.273  1.00  0.00           C  
HETATM    5  N1  UNL     1      -1.530  -0.428  -1.648  1.00  0.00           N  
HETATM    6  C4  UNL     1      -0.093   0.462   0.132  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.975  -0.583  -0.076  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.291   0.023   0.364  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.438  -0.948   0.197  1.00  0.00           C  
HETATM   10  N2  UNL     1       4.640  -0.240   0.655  1.00  0.00           N  
HETATM   11  C8  UNL     1      -1.920  -1.150   0.576  1.00  0.00           C  
HETATM   12  O2  UNL     1      -2.269  -2.209   0.050  1.00  0.00           O  
HETATM   13  O3  UNL     1      -1.963  -1.041   1.962  1.00  0.00           O  
HETATM   14  H1  UNL     1      -2.873   2.676  -1.425  1.00  0.00           H  
HETATM   15  H2  UNL     1      -4.264   1.928  -0.584  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.434   1.051  -1.921  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.834  -1.220  -1.770  1.00  0.00           H  
HETATM   18  H5  UNL     1      -2.500  -0.772  -1.825  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.117   0.711   1.210  1.00  0.00           H  
HETATM   20  H7  UNL     1       0.144   1.356  -0.480  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.726  -1.483   0.543  1.00  0.00           H  
HETATM   22  H9  UNL     1       1.078  -0.911  -1.112  1.00  0.00           H  
HETATM   23  H10 UNL     1       2.232   0.383   1.416  1.00  0.00           H  
HETATM   24  H11 UNL     1       2.463   0.906  -0.284  1.00  0.00           H  
HETATM   25  H12 UNL     1       3.264  -1.848   0.806  1.00  0.00           H  
HETATM   26  H13 UNL     1       3.571  -1.156  -0.885  1.00  0.00           H  
HETATM   27  H14 UNL     1       4.531  -0.142   1.692  1.00  0.00           H  
HETATM   28  H15 UNL     1       4.668   0.704   0.209  1.00  0.00           H  
HETATM   29  H16 UNL     1      -2.626  -0.412   2.430  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    3    4
CONECT    4    5    6   11
CONECT    5   17   18
CONECT    6    7   19   20
CONECT    7    8   21   22
CONECT    8    9   23   24
CONECT    9   10   25   26
CONECT   10   27   28
CONECT   11   12   12   13
CONECT   13   29
END
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SMILES for HMDB0247927 (alpha-Acetyllysine)

CC(=O)C(N)(CCCCN)C(O)=O
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INCHI for HMDB0247927 (alpha-Acetyllysine)

InChI=1S/C8H16N2O3/c1-6(11)8(10,7(12)13)4-2-3-5-9/h2-5,9-10H2,1H3,(H,12,13)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
a-AcetyllysineGenerator
Α-acetyllysineGenerator
Chemical FormulaC8H16N2O3
Average Molecular Weight188.227
Monoisotopic Molecular Weight188.116092383
IUPAC Name2-acetyl-2,6-diaminohexanoic acid
Traditional Name2-acetyl-2,6-diaminohexanoic acid
CAS Registry NumberNot Available
SMILES
CC(=O)C(N)(CCCCN)C(O)=O
InChI Identifier
InChI=1S/C8H16N2O3/c1-6(11)8(10,7(12)13)4-2-3-5-9/h2-5,9-10H2,1H3,(H,12,13)
InChI KeyBJTZATWAPRKXBV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Medium-chain keto acid
  • Amino fatty acid
  • Beta-keto acid
  • Branched fatty acid
  • Beta-hydroxy ketone
  • Keto acid
  • Fatty acyl
  • Alpha-aminoketone
  • Ketone
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organonitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Amine
  • Organooxygen compound
  • Primary amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
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-3ALOGPS
logP-2.8ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)2.31ChemAxon
pKa (Strongest Basic)10.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area106.41 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity47.56 m³·mol⁻¹ChemAxon
Polarizability19.72 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]+138.70930932474
DeepCCS[M-H]-134.88230932474
DeepCCS[M-2H]-172.1230932474
DeepCCS[M+Na]+147.65930932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
alpha-AcetyllysineCC(=O)C(N)(CCCCN)C(O)=O2438.3Standard polar33892256
alpha-AcetyllysineCC(=O)C(N)(CCCCN)C(O)=O1660.0Standard non polar33892256
alpha-AcetyllysineCC(=O)C(N)(CCCCN)C(O)=O1691.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
alpha-Acetyllysine,2TMS,isomer #1C=C(O[Si](C)(C)C)C(N)(CCCCN)C(=O)O[Si](C)(C)C1732.6Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #1C=C(O[Si](C)(C)C)C(N)(CCCCN)C(=O)O[Si](C)(C)C1768.3Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #1C=C(O[Si](C)(C)C)C(N)(CCCCN)C(=O)O[Si](C)(C)C3046.5Standard polar33892256
alpha-Acetyllysine,2TMS,isomer #2CC(=O)C(CCCCN)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1766.5Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #2CC(=O)C(CCCCN)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1838.2Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #2CC(=O)C(CCCCN)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2620.0Standard polar33892256
alpha-Acetyllysine,2TMS,isomer #3CC(=O)C(N)(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C1755.7Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #3CC(=O)C(N)(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C1916.9Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #3CC(=O)C(N)(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2789.5Standard polar33892256
alpha-Acetyllysine,2TMS,isomer #4C=C(O[Si](C)(C)C)C(CCCCN)(N[Si](C)(C)C)C(=O)O1826.7Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #4C=C(O[Si](C)(C)C)C(CCCCN)(N[Si](C)(C)C)C(=O)O1839.6Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #4C=C(O[Si](C)(C)C)C(CCCCN)(N[Si](C)(C)C)C(=O)O2730.1Standard polar33892256
alpha-Acetyllysine,2TMS,isomer #5C=C(O[Si](C)(C)C)C(N)(CCCCN[Si](C)(C)C)C(=O)O1820.2Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #5C=C(O[Si](C)(C)C)C(N)(CCCCN[Si](C)(C)C)C(=O)O1869.4Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #5C=C(O[Si](C)(C)C)C(N)(CCCCN[Si](C)(C)C)C(=O)O2866.0Standard polar33892256
alpha-Acetyllysine,2TMS,isomer #6CC(=O)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O1835.6Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #6CC(=O)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O1908.9Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #6CC(=O)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2485.6Standard polar33892256
alpha-Acetyllysine,2TMS,isomer #7CC(=O)C(CCCCN)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1873.8Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #7CC(=O)C(CCCCN)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1883.7Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #7CC(=O)C(CCCCN)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2773.0Standard polar33892256
alpha-Acetyllysine,2TMS,isomer #8CC(=O)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1926.5Semi standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #8CC(=O)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1981.8Standard non polar33892256
alpha-Acetyllysine,2TMS,isomer #8CC(=O)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O3067.6Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1824.8Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1908.1Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2503.3Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #10CC(=O)C(CCCCN[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1971.8Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #10CC(=O)C(CCCCN[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2030.7Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #10CC(=O)C(CCCCN[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2311.4Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #2C=C(O[Si](C)(C)C)C(N)(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C1821.4Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #2C=C(O[Si](C)(C)C)C(N)(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C1945.9Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #2C=C(O[Si](C)(C)C)C(N)(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2590.8Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #3CC(=O)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1855.4Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #3CC(=O)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1996.9Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #3CC(=O)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2168.0Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #4CC(=O)C(CCCCN)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1895.0Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #4CC(=O)C(CCCCN)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1972.5Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #4CC(=O)C(CCCCN)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2511.9Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #5CC(=O)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1929.7Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #5CC(=O)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2048.8Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #5CC(=O)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2712.1Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #6C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O1906.6Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #6C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2016.2Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #6C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2336.5Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #7C=C(O[Si](C)(C)C)C(CCCCN)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1990.3Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #7C=C(O[Si](C)(C)C)C(CCCCN)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1991.0Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #7C=C(O[Si](C)(C)C)C(CCCCN)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2609.1Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #8C=C(O[Si](C)(C)C)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2007.0Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #8C=C(O[Si](C)(C)C)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1992.2Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #8C=C(O[Si](C)(C)C)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2802.5Standard polar33892256
alpha-Acetyllysine,3TMS,isomer #9CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O1988.6Semi standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #9CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2021.8Standard non polar33892256
alpha-Acetyllysine,3TMS,isomer #9CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2378.5Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C1881.3Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2068.6Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2085.3Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #2C=C(O[Si](C)(C)C)C(CCCCN)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2011.0Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #2C=C(O[Si](C)(C)C)C(CCCCN)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2061.5Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #2C=C(O[Si](C)(C)C)C(CCCCN)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2457.5Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #3C=C(O[Si](C)(C)C)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2020.3Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #3C=C(O[Si](C)(C)C)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2055.2Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #3C=C(O[Si](C)(C)C)C(N)(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2568.5Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #4CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2019.5Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #4CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2076.9Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #4CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2130.6Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #5CC(=O)C(CCCCN[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1978.0Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #5CC(=O)C(CCCCN[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2099.9Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #5CC(=O)C(CCCCN[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2095.5Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #6C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2058.4Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #6C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2086.9Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #6C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O2292.4Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #7C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2059.3Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #7C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2146.8Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #7C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2253.4Standard polar33892256
alpha-Acetyllysine,4TMS,isomer #8CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2134.6Semi standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #8CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2138.0Standard non polar33892256
alpha-Acetyllysine,4TMS,isomer #8CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2254.2Standard polar33892256
alpha-Acetyllysine,5TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2077.8Semi standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2135.5Standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2074.1Standard polar33892256
alpha-Acetyllysine,5TMS,isomer #2C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2041.9Semi standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #2C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2184.2Standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #2C=C(O[Si](C)(C)C)C(CCCCN[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2065.4Standard polar33892256
alpha-Acetyllysine,5TMS,isomer #3CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2187.4Semi standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #3CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2188.9Standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #3CC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2070.8Standard polar33892256
alpha-Acetyllysine,5TMS,isomer #4C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2249.2Semi standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #4C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2215.1Standard non polar33892256
alpha-Acetyllysine,5TMS,isomer #4C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2206.1Standard polar33892256
alpha-Acetyllysine,6TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2302.6Semi standard non polar33892256
alpha-Acetyllysine,6TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2259.2Standard non polar33892256
alpha-Acetyllysine,6TMS,isomer #1C=C(O[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2081.4Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2204.8Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2179.2Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C3062.3Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #2CC(=O)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2214.4Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #2CC(=O)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2239.2Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #2CC(=O)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2637.6Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #3CC(=O)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2226.4Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #3CC(=O)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2338.5Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #3CC(=O)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2838.7Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O2272.2Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O2215.2Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O2747.4Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O2289.9Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O2265.6Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O2925.3Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #6CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2288.5Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #6CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2276.2Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #6CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2560.1Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #7CC(=O)C(CCCCN)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2323.9Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #7CC(=O)C(CCCCN)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2266.9Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #7CC(=O)C(CCCCN)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2719.6Standard polar33892256
alpha-Acetyllysine,2TBDMS,isomer #8CC(=O)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2386.9Semi standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #8CC(=O)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2370.1Standard non polar33892256
alpha-Acetyllysine,2TBDMS,isomer #8CC(=O)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3054.3Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2511.6Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2434.8Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2657.2Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #10CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2646.5Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #10CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2541.0Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #10CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2539.5Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2523.7Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2493.8Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2783.3Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #3CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2517.5Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #3CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2515.5Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #3CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2470.7Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #4CC(=O)C(CCCCN)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2554.7Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #4CC(=O)C(CCCCN)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2510.2Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #4CC(=O)C(CCCCN)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2632.8Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #5CC(=O)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2614.4Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #5CC(=O)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2623.3Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #5CC(=O)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2840.3Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2571.9Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2495.3Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2589.9Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #7C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2614.4Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #7C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2494.6Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #7C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2717.5Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #8C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2679.0Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #8C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2551.6Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #8C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2917.9Standard polar33892256
alpha-Acetyllysine,3TBDMS,isomer #9CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2677.6Semi standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #9CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2566.7Standard non polar33892256
alpha-Acetyllysine,3TBDMS,isomer #9CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2595.9Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2783.3Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2700.5Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2546.4Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2859.0Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2715.7Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2692.9Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2907.3Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2750.4Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C(N)(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2854.4Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #4CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2882.1Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #4CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2761.3Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #4CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2532.4Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #5CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2867.7Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #5CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2765.6Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #5CC(=O)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2502.5Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2936.8Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2741.9Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O2645.8Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #7C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2928.9Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #7C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2760.7Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #7C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2610.1Standard polar33892256
alpha-Acetyllysine,4TBDMS,isomer #8CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3002.8Semi standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #8CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2806.1Standard non polar33892256
alpha-Acetyllysine,4TBDMS,isomer #8CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2574.0Standard polar33892256
alpha-Acetyllysine,5TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3140.5Semi standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2948.3Standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2611.6Standard polar33892256
alpha-Acetyllysine,5TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3154.1Semi standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2963.1Standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2599.8Standard polar33892256
alpha-Acetyllysine,5TBDMS,isomer #3CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3219.8Semi standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #3CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3013.2Standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #3CC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2557.4Standard polar33892256
alpha-Acetyllysine,5TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3267.6Semi standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3006.6Standard non polar33892256
alpha-Acetyllysine,5TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2658.3Standard polar33892256
alpha-Acetyllysine,6TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3501.6Semi standard non polar33892256
alpha-Acetyllysine,6TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3211.3Standard non polar33892256
alpha-Acetyllysine,6TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2690.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9200000000-ce75123bbf23449fc74e2021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-Acetyllysine GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-Acetyllysine 10V, Positive-QTOFsplash10-00g3-0900000000-d70c06357c6d848a952e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-Acetyllysine 20V, Positive-QTOFsplash10-05di-6900000000-e8081527860625cdc7742021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-Acetyllysine 40V, Positive-QTOFsplash10-00dl-9100000000-4a3e74f4fdab4e119ca22021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-Acetyllysine 10V, Negative-QTOFsplash10-000i-0900000000-253f680179a4041d60732021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-Acetyllysine 20V, Negative-QTOFsplash10-0006-1900000000-42f968dd2aa52f59decc2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-Acetyllysine 40V, Negative-QTOFsplash10-0006-9000000000-662229f63c2e9b4d63f72021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart 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 ID10668406
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound19009202
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 ]