MiMeDB: Showing metabocard for N(6')-acetylkanamycin B (MMDBc0056190)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:19:04 UTC

Update Date

2025-10-07 16:09:38 UTC

Metabolite ID

MMDBc0056190

Metabolite Identification

Common Name

N(6')-acetylkanamycin B

Description

N(6')-acetylkanamycin B is a member of the aminoglycoside class of antibiotics. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its properties and potential applications.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222192D          

 51 53  0  0  1  0            999 V2000
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  1  0  0  0
  9  4  1  1  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 17  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  1  0  0  0
 10 23  1  1  0  0  0
 11 24  1  6  0  0  0
 25  3  1  4  0  0  0
 25  5  2  0  0  0  0
 26  4  1  0  0  0  0
 27  5  1  0  0  0  0
 12 28  1  1  0  0  0
 13 29  1  6  0  0  0
 14 30  1  6  0  0  0
 15 31  1  6  0  0  0
 16 32  1  1  0  0  0
 33  8  1  0  0  0  0
 33 19  1  0  0  0  0
 34  9  1  0  0  0  0
 34 20  1  0  0  0  0
 17 35  1  1  0  0  0
 19 35  1  6  0  0  0
 18 36  1  6  0  0  0
 20 36  1  6  0  0  0
  6 37  1  6  0  0  0
  7 38  1  6  0  0  0
  8 39  1  6  0  0  0
  9 40  1  6  0  0  0
 10 41  1  6  0  0  0
 11 42  1  1  0  0  0
 12 43  1  1  0  0  0
 13 44  1  1  0  0  0
 14 45  1  6  0  0  0
 15 46  1  1  0  0  0
 16 47  1  6  0  0  0
 17 48  1  1  0  0  0
 18 49  1  1  0  0  0
 19 50  1  1  0  0  0
 20 51  1  1  0  0  0
M  CHG  4  21   1  22   1  23   1  24   1
M  END


  Mrv1652306172222192D          

 51 53  0  0  1  0            999 V2000
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  1  0  0  0
  9  4  1  1  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 17  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18  7  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  1  0  0  0
 10 23  1  1  0  0  0
 11 24  1  6  0  0  0
 25  3  1  4  0  0  0
 25  5  2  0  0  0  0
 26  4  1  0  0  0  0
 27  5  1  0  0  0  0
 12 28  1  1  0  0  0
 13 29  1  6  0  0  0
 14 30  1  6  0  0  0
 15 31  1  6  0  0  0
 16 32  1  1  0  0  0
 33  8  1  0  0  0  0
 33 19  1  0  0  0  0
 34  9  1  0  0  0  0
 34 20  1  0  0  0  0
 17 35  1  1  0  0  0
 19 35  1  6  0  0  0
 18 36  1  6  0  0  0
 20 36  1  6  0  0  0
  6 37  1  6  0  0  0
  7 38  1  6  0  0  0
  8 39  1  6  0  0  0
  9 40  1  6  0  0  0
 10 41  1  6  0  0  0
 11 42  1  1  0  0  0
 12 43  1  1  0  0  0
 13 44  1  1  0  0  0
 14 45  1  6  0  0  0
 15 46  1  1  0  0  0
 16 47  1  6  0  0  0
 17 48  1  1  0  0  0
 18 49  1  1  0  0  0
 19 50  1  1  0  0  0
 20 51  1  1  0  0  0
M  CHG  4  21   1  22   1  23   1  24   1
M  END
> <DATABASE_ID>
MMDBc0056190

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1([NH3+])C[C@@]([H])([NH3+])[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])([NH3+])[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O[C@@]1([H])O[C@]([H])(CN=C(C)O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])[NH3+]

> <INCHI_IDENTIFIER>
InChI=1S/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/p+4/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1

> <INCHI_KEY>
JVNRAWAXQAGKBK-HLIGCJFYSA-R

> <FORMULA>
C20H43N5O11

> <MOLECULAR_WEIGHT>
529.586

> <EXACT_MASS>
529.293712905

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
52.327388403462166

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,4S,5S,6R)-4-{[(2S,3R,4S,5S,6R)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-azaniumyl-4,5-dihydroxy-6-{[(1-hydroxyethylidene)amino]methyl}oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)

> <JCHEM_LOGP>
-9.08572457197302

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA>
12.611858551534564

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.800158242854373

> <JCHEM_PKA_STRONGEST_BASIC>
9.472795946306665

> <JCHEM_POLAR_SURFACE_AREA>
301.45000000000005

> <JCHEM_REFRACTIVITY>
162.92870000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,4S,5S,6R)-4-{[(2S,3R,4S,5S,6R)-4-ammonio-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-ammonio-4,5-dihydroxy-6-{[(1-hydroxyethylidene)amino]methyl}oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.000   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -1.334   8.470   0.000  0.00  0.00           N+1
HETATM   22  N   UNK     0       1.334   3.850   0.000  0.00  0.00           N+1
HETATM   23  N   UNK     0      -4.001  -2.310   0.000  0.00  0.00           N+1
HETATM   24  N   UNK     0      -6.668   8.470   0.000  0.00  0.00           N+1
HETATM   25  N   UNK     0      -1.334  13.090   0.000  0.00  0.00           N+0
HETATM   26  O   UNK     0      -6.668   3.850   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  13.090   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -4.001  13.090   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -6.668  11.550   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.667   9.240   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   37  H   UNK     0      -2.667   7.700   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -0.000   3.080   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      -2.667  12.320   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      -6.668   0.770   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      -5.335  -1.540   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0      -6.668  10.010   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      -4.001   0.770   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0      -5.335  12.320   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0      -4.001  10.010   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0      -2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0      -4.001   5.390   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0      -1.334   5.390   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0      -2.667   3.080   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0      -5.335   7.700   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.334   0.770   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2    6    7                                                       
CONECT    3    8   25                                                       
CONECT    4    9   26                                                       
CONECT    5    1   25   27                                                  
CONECT    6    2   17   21   37                                             
CONECT    7    2   18   22   38                                             
CONECT    8    3   13   33   39                                             
CONECT    9    4   12   34   40                                             
CONECT   10   12   15   23   41                                             
CONECT   11   14   19   24   42                                             
CONECT   12    9   10   28   43                                             
CONECT   13    8   14   29   44                                             
CONECT   14   11   13   30   45                                             
CONECT   15   10   20   31   46                                             
CONECT   16   17   18   32   47                                             
CONECT   17    6   16   35   48                                             
CONECT   18    7   16   36   49                                             
CONECT   19   11   33   35   50                                             
CONECT   20   15   34   36   51                                             
CONECT   21    6                                                            
CONECT   22    7                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25    3    5                                                       
CONECT   26    4                                                            
CONECT   27    5                                                            
CONECT   28   12                                                            
CONECT   29   13                                                            
CONECT   30   14                                                            
CONECT   31   15                                                            
CONECT   32   16                                                            
CONECT   33    8   19                                                       
CONECT   34    9   20                                                       
CONECT   35   17   19                                                       
CONECT   36   18   20                                                       
CONECT   37    6                                                            
CONECT   38    7                                                            
CONECT   39    8                                                            
CONECT   40    9                                                            
CONECT   41   10                                                            
CONECT   42   11                                                            
CONECT   43   12                                                            
CONECT   44   13                                                            
CONECT   45   14                                                            
CONECT   46   15                                                            
CONECT   47   16                                                            
CONECT   48   17                                                            
CONECT   49   18                                                            
CONECT   50   19                                                            
CONECT   51   20                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  106    0
END

Synonyms

Value	Source
N(6')-Acetylkanamycin b	ChEBI
N(6')-Acetylkanamycin b tetracation	ChEBI

Molecular Formula

C₂₀H₄₃N₅O₁₁

Average Mass

529.586

Monoisotopic Mass

529.293712905

IUPAC Name

(1S,3R,4S,5S,6R)-4-{[(2S,3R,4S,5S,6R)-4-azaniumyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-azaniumyl-4,5-dihydroxy-6-{[(1-hydroxyethylidene)amino]methyl}oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)

Traditional Name

(1S,3R,4S,5S,6R)-4-{[(2S,3R,4S,5S,6R)-4-ammonio-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-ammonio-4,5-dihydroxy-6-{[(1-hydroxyethylidene)amino]methyl}oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)

CAS Registry Number

Not Available

SMILES

[H][C@]1([NH3+])C[C@@]([H])([NH3+])[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])([NH3+])[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O[C@@]1([H])O[C@]([H])(CN=C(C)O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])[NH3+]

InChI Identifier

InChI=1S/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/p+4/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1

InChI Key

JVNRAWAXQAGKBK-HLIGCJFYSA-R

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminocyclitol glycosides

Alternative Parents

Substituents

Amino cyclitol glycoside
Glycosyl compound
O-glycosyl compound
Aminocyclitol or derivatives
Cyclohexanol
Cyclohexylamine
Cyclitol or derivatives
Monosaccharide
Oxane
Cyclic alcohol
Acetamide
1,2-aminoalcohol
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Primary alcohol
Primary amine
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Primary aliphatic amine
Amine
Organonitrogen compound
Organic cation
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

ammonium ion (CHEBI:58390 )
organic cation (CHEBI:58390 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-9.1	ChemAxon
pKa (Strongest Acidic)	5.8	ChemAxon
pKa (Strongest Basic)	9.47	ChemAxon
Physiological Charge	4	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	301.45 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	162.93 m³·mol⁻¹	ChemAxon
Polarizability	52.33 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	780.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	637.8
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	83.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	318.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	441.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	276.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	466.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	1394.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	562.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	188.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	1138.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	214.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	19.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	694.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	968.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	105.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	444.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	791.2
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	663.1

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	N(6')-acetylkanamycin B_TMS_1	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1970.61
Gas Chromatography	N(6')-acetylkanamycin B_TMS_2	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1841.93
Gas Chromatography	N(6')-acetylkanamycin B_TMS_3	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	3090.73
Gas Chromatography	N(6')-acetylkanamycin B_TMS_4	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2168.96
Gas Chromatography	N(6')-acetylkanamycin B_TMS_5	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1332.59
Gas Chromatography	N(6')-acetylkanamycin B_TMS_6	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2115.97
Gas Chromatography	N(6')-acetylkanamycin B_TMS_7	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3152.99
Gas Chromatography	N(6')-acetylkanamycin B_TMS_8	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	850.163
Gas Chromatography	N(6')-acetylkanamycin B_TMS_9	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	449.315
Gas Chromatography	N(6')-acetylkanamycin B_TMS_10	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	3584.41
Gas Chromatography	N(6')-acetylkanamycin B_TMS_11	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2238.17
Gas Chromatography	N(6')-acetylkanamycin B_TMS_12	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2566.07
Gas Chromatography	N(6')-acetylkanamycin B_TMS_13	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3211.79
Gas Chromatography	N(6')-acetylkanamycin B_TMS_14	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1488.88
Gas Chromatography	N(6')-acetylkanamycin B_TMS_15	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1645.78
Gas Chromatography	N(6')-acetylkanamycin B_TMS_16	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1535.83
Gas Chromatography	N(6')-acetylkanamycin B_TMS_17	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	929.753
Gas Chromatography	N(6')-acetylkanamycin B_TMS_18	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1880.47
Gas Chromatography	N(6')-acetylkanamycin B_TMS_19	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2105.48
Gas Chromatography	N(6')-acetylkanamycin B_TMS_20	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2311.07
Gas Chromatography	N(6')-acetylkanamycin B_TMS_21	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2371.74
Gas Chromatography	N(6')-acetylkanamycin B_TMS_22	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2273.9
Gas Chromatography	N(6')-acetylkanamycin B_TMS_23	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2213.35
Gas Chromatography	N(6')-acetylkanamycin B_TMS_24	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2329.23
Gas Chromatography	N(6')-acetylkanamycin B_TMS_25	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1778.92
Gas Chromatography	N(6')-acetylkanamycin B_TMS_26	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1541.04
Gas Chromatography	N(6')-acetylkanamycin B_TMS_27	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1965.66
Gas Chromatography	N(6')-acetylkanamycin B_TMS_28	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2812.05
Gas Chromatography	N(6')-acetylkanamycin B_TMS_29	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2348.51
Gas Chromatography	N(6')-acetylkanamycin B_TMS_30	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2004.99
Gas Chromatography	N(6')-acetylkanamycin B_TMS_31	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2600.96
Gas Chromatography	N(6')-acetylkanamycin B_TMS_32	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1585.57
Gas Chromatography	N(6')-acetylkanamycin B_TMS_33	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1481.48
Gas Chromatography	N(6')-acetylkanamycin B_TMS_34	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2535.1
Gas Chromatography	N(6')-acetylkanamycin B_TMS_35	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2123.14
Gas Chromatography	N(6')-acetylkanamycin B_TMS_36	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2006.64
Gas Chromatography	N(6')-acetylkanamycin B_TMS_37	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1634.05
Gas Chromatography	N(6')-acetylkanamycin B_TMS_38	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1678.13
Gas Chromatography	N(6')-acetylkanamycin B_TMS_39	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2307.27
Gas Chromatography	N(6')-acetylkanamycin B_TMS_40	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2109.62
Gas Chromatography	N(6')-acetylkanamycin B_TMS_41	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1845.33
Gas Chromatography	N(6')-acetylkanamycin B_TMS_42	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2418.74
Gas Chromatography	N(6')-acetylkanamycin B_TMS_43	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1082.75
Gas Chromatography	N(6')-acetylkanamycin B_TMS_44	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2010.35
Gas Chromatography	N(6')-acetylkanamycin B_TMS_45	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2237.31
Gas Chromatography	N(6')-acetylkanamycin B_TMS_46	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1161.69
Gas Chromatography	N(6')-acetylkanamycin B_TMS_47	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2380.22
Gas Chromatography	N(6')-acetylkanamycin B_TMS_48	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2756.66
Gas Chromatography	N(6')-acetylkanamycin B_TMS_49	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2365.12
Gas Chromatography	N(6')-acetylkanamycin B_TMS_50	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2582.19
Gas Chromatography	N(6')-acetylkanamycin B_TMS_51	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1709.38
Gas Chromatography	N(6')-acetylkanamycin B_TMS_52	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2962.64
Gas Chromatography	N(6')-acetylkanamycin B_TMS_53	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2364.74
Gas Chromatography	N(6')-acetylkanamycin B_TMS_54	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1865.25
Gas Chromatography	N(6')-acetylkanamycin B_TMS_55	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2121.96
Gas Chromatography	N(6')-acetylkanamycin B_TMS_56	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3291.53
Gas Chromatography	N(6')-acetylkanamycin B_TMS_57	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1724.55
Gas Chromatography	N(6')-acetylkanamycin B_TMS_58	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2399.55
Gas Chromatography	N(6')-acetylkanamycin B_TMS_59	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1187.47
Gas Chromatography	N(6')-acetylkanamycin B_TMS_60	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1932.69
Gas Chromatography	N(6')-acetylkanamycin B_TMS_61	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1650.82
Gas Chromatography	N(6')-acetylkanamycin B_TMS_62	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	285.34
Gas Chromatography	N(6')-acetylkanamycin B_TMS_63	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	97.9351
Gas Chromatography	N(6')-acetylkanamycin B_TMS_64	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1529.7
Gas Chromatography	N(6')-acetylkanamycin B_TMS_65	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	4361.93
Gas Chromatography	N(6')-acetylkanamycin B_TMS_66	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2758.46
Gas Chromatography	N(6')-acetylkanamycin B_TMS_67	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2751.06
Gas Chromatography	N(6')-acetylkanamycin B_TMS_68	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2755.1
Gas Chromatography	N(6')-acetylkanamycin B_TMS_69	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1545.94
Gas Chromatography	N(6')-acetylkanamycin B_TMS_70	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2788.73
Gas Chromatography	N(6')-acetylkanamycin B_TMS_71	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1413.77
Gas Chromatography	N(6')-acetylkanamycin B_TMS_72	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2673.77
Gas Chromatography	N(6')-acetylkanamycin B_TMS_73	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2200.99
Gas Chromatography	N(6')-acetylkanamycin B_TMS_74	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2701.55
Gas Chromatography	N(6')-acetylkanamycin B_TMS_75	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1119.3
Gas Chromatography	N(6')-acetylkanamycin B_TMS_76	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	577.073
Gas Chromatography	N(6')-acetylkanamycin B_TMS_77	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2492.54
Gas Chromatography	N(6')-acetylkanamycin B_TMS_78	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2980.71
Gas Chromatography	N(6')-acetylkanamycin B_TMS_79	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2310.13
Gas Chromatography	N(6')-acetylkanamycin B_TMS_80	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1827.42
Gas Chromatography	N(6')-acetylkanamycin B_TMS_81	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1703.1
Gas Chromatography	N(6')-acetylkanamycin B_TMS_82	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2699.33
Gas Chromatography	N(6')-acetylkanamycin B_TMS_83	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2289.84
Gas Chromatography	N(6')-acetylkanamycin B_TMS_84	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	844.779
Gas Chromatography	N(6')-acetylkanamycin B_TMS_85	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2131.61
Gas Chromatography	N(6')-acetylkanamycin B_TMS_86	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2750.77
Gas Chromatography	N(6')-acetylkanamycin B_TMS_87	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2634.11
Gas Chromatography	N(6')-acetylkanamycin B_TMS_88	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	726.664
Gas Chromatography	N(6')-acetylkanamycin B_TMS_89	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1905.92
Gas Chromatography	N(6')-acetylkanamycin B_TMS_90	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1597.27
Gas Chromatography	N(6')-acetylkanamycin B_TMS_91	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1060.58
Gas Chromatography	N(6')-acetylkanamycin B_TMS_92	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1826.5
Gas Chromatography	N(6')-acetylkanamycin B_TMS_93	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1314.19
Gas Chromatography	N(6')-acetylkanamycin B_TMS_94	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2991.82
Gas Chromatography	N(6')-acetylkanamycin B_TMS_95	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1642.96
Gas Chromatography	N(6')-acetylkanamycin B_TMS_96	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1653.78
Gas Chromatography	N(6')-acetylkanamycin B_TMS_97	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1525.52
Gas Chromatography	N(6')-acetylkanamycin B_TMS_98	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2046.99
Gas Chromatography	N(6')-acetylkanamycin B_TMS_99	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1649.79
Gas Chromatography	N(6')-acetylkanamycin B_TMS_100	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	3408.58
Gas Chromatography	N(6')-acetylkanamycin B_TMS_101	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1082.27
Gas Chromatography	N(6')-acetylkanamycin B_TMS_102	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1525.68
Gas Chromatography	N(6')-acetylkanamycin B_TMS_103	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1493.42
Gas Chromatography	N(6')-acetylkanamycin B_TMS_104	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3083.31
Gas Chromatography	N(6')-acetylkanamycin B_TMS_105	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2819.67
Gas Chromatography	N(6')-acetylkanamycin B_TMS_106	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2591.42
Gas Chromatography	N(6')-acetylkanamycin B_TMS_107	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2925.91
Gas Chromatography	N(6')-acetylkanamycin B_TMS_108	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2328.97
Gas Chromatography	N(6')-acetylkanamycin B_TMS_109	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2036.47
Gas Chromatography	N(6')-acetylkanamycin B_TMS_110	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	846.695
Gas Chromatography	N(6')-acetylkanamycin B_TMS_111	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	464.705
Gas Chromatography	N(6')-acetylkanamycin B_TMS_112	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1131.42
Gas Chromatography	N(6')-acetylkanamycin B_TMS_113	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1359.77
Gas Chromatography	N(6')-acetylkanamycin B_TMS_114	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	3434.97
Gas Chromatography	N(6')-acetylkanamycin B_TMS_115	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2683.07
Gas Chromatography	N(6')-acetylkanamycin B_TMS_116	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2519.89
Gas Chromatography	N(6')-acetylkanamycin B_TMS_117	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2360.46
Gas Chromatography	N(6')-acetylkanamycin B_TMS_118	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2077.03
Gas Chromatography	N(6')-acetylkanamycin B_TMS_119	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1182.63
Gas Chromatography	N(6')-acetylkanamycin B_TMS_1	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2385.41
Gas Chromatography	N(6')-acetylkanamycin B_TMS_2	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2182.75
Gas Chromatography	N(6')-acetylkanamycin B_TMS_3	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2799.35
Gas Chromatography	N(6')-acetylkanamycin B_TMS_4	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2123.15
Gas Chromatography	N(6')-acetylkanamycin B_TMS_5	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1102.65
Gas Chromatography	N(6')-acetylkanamycin B_TMS_6	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2634.01
Gas Chromatography	N(6')-acetylkanamycin B_TMS_7	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1411.29
Gas Chromatography	N(6')-acetylkanamycin B_TMS_8	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	3246.16
Gas Chromatography	N(6')-acetylkanamycin B_TMS_9	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1586.48
Gas Chromatography	N(6')-acetylkanamycin B_TMS_10	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1713.52
Gas Chromatography	N(6')-acetylkanamycin B_TMS_11	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2692.3
Gas Chromatography	N(6')-acetylkanamycin B_TMS_12	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2748.08
Gas Chromatography	N(6')-acetylkanamycin B_TMS_13	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1839.69
Gas Chromatography	N(6')-acetylkanamycin B_TMS_14	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2560.71
Gas Chromatography	N(6')-acetylkanamycin B_TMS_15	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2041.11
Gas Chromatography	N(6')-acetylkanamycin B_TMS_16	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1674.71
Gas Chromatography	N(6')-acetylkanamycin B_TMS_17	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1818.56
Gas Chromatography	N(6')-acetylkanamycin B_TMS_18	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2109.59
Gas Chromatography	N(6')-acetylkanamycin B_TMS_19	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2531.2
Gas Chromatography	N(6')-acetylkanamycin B_TMS_20	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2250.94
Gas Chromatography	N(6')-acetylkanamycin B_TMS_21	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1620.58
Gas Chromatography	N(6')-acetylkanamycin B_TMS_22	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1910.62
Gas Chromatography	N(6')-acetylkanamycin B_TMS_23	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1917.72
Gas Chromatography	N(6')-acetylkanamycin B_TMS_24	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2813.35
Gas Chromatography	N(6')-acetylkanamycin B_TMS_25	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1864.85
Gas Chromatography	N(6')-acetylkanamycin B_TMS_26	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2082.74
Gas Chromatography	N(6')-acetylkanamycin B_TMS_27	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2699.17
Gas Chromatography	N(6')-acetylkanamycin B_TMS_28	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3088.48
Gas Chromatography	N(6')-acetylkanamycin B_TMS_29	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2472.27
Gas Chromatography	N(6')-acetylkanamycin B_TMS_30	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2176.68
Gas Chromatography	N(6')-acetylkanamycin B_TMS_31	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	825.801
Gas Chromatography	N(6')-acetylkanamycin B_TMS_32	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	796.143
Gas Chromatography	N(6')-acetylkanamycin B_TMS_33	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1582.62
Gas Chromatography	N(6')-acetylkanamycin B_TMS_34	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2634.76
Gas Chromatography	N(6')-acetylkanamycin B_TMS_35	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1742.11
Gas Chromatography	N(6')-acetylkanamycin B_TMS_36	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1630.3
Gas Chromatography	N(6')-acetylkanamycin B_TMS_37	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1867.89
Gas Chromatography	N(6')-acetylkanamycin B_TMS_38	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	3505.95
Gas Chromatography	N(6')-acetylkanamycin B_TMS_39	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2611.93
Gas Chromatography	N(6')-acetylkanamycin B_TMS_40	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1361.91
Gas Chromatography	N(6')-acetylkanamycin B_TMS_41	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1195.79
Gas Chromatography	N(6')-acetylkanamycin B_TMS_42	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1532.14
Gas Chromatography	N(6')-acetylkanamycin B_TMS_43	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1871.84
Gas Chromatography	N(6')-acetylkanamycin B_TMS_44	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1679.66
Gas Chromatography	N(6')-acetylkanamycin B_TMS_45	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2280.99
Gas Chromatography	N(6')-acetylkanamycin B_TMS_46	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1147.73
Gas Chromatography	N(6')-acetylkanamycin B_TMS_47	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1588.62
Gas Chromatography	N(6')-acetylkanamycin B_TMS_48	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	3121.12
Gas Chromatography	N(6')-acetylkanamycin B_TMS_49	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2515.34
Gas Chromatography	N(6')-acetylkanamycin B_TMS_50	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2772.44
Gas Chromatography	N(6')-acetylkanamycin B_TMS_51	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	703.116
Gas Chromatography	N(6')-acetylkanamycin B_TMS_52	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	208.206
Gas Chromatography	N(6')-acetylkanamycin B_TMS_53	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2551.98
Gas Chromatography	N(6')-acetylkanamycin B_TMS_54	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	916.137
Gas Chromatography	N(6')-acetylkanamycin B_TMS_55	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1309.09
Gas Chromatography	N(6')-acetylkanamycin B_TMS_56	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2289.11
Gas Chromatography	N(6')-acetylkanamycin B_TMS_57	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3103.76
Gas Chromatography	N(6')-acetylkanamycin B_TMS_58	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2439.33
Gas Chromatography	N(6')-acetylkanamycin B_TMS_59	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2628.19
Gas Chromatography	N(6')-acetylkanamycin B_TMS_60	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2651.35
Gas Chromatography	N(6')-acetylkanamycin B_TMS_61	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1778.09
Gas Chromatography	N(6')-acetylkanamycin B_TMS_62	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1691.86
Gas Chromatography	N(6')-acetylkanamycin B_TMS_63	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1888.49
Gas Chromatography	N(6')-acetylkanamycin B_TMS_64	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	763.86
Gas Chromatography	N(6')-acetylkanamycin B_TMS_65	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2415.9
Gas Chromatography	N(6')-acetylkanamycin B_TMS_66	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1275.31
Gas Chromatography	N(6')-acetylkanamycin B_TMS_67	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	644.804
Gas Chromatography	N(6')-acetylkanamycin B_TMS_68	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2885.62
Gas Chromatography	N(6')-acetylkanamycin B_TMS_69	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	4126.16
Gas Chromatography	N(6')-acetylkanamycin B_TMS_70	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	508.786
Gas Chromatography	N(6')-acetylkanamycin B_TMS_71	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1148.57
Gas Chromatography	N(6')-acetylkanamycin B_TMS_72	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2677.58
Gas Chromatography	N(6')-acetylkanamycin B_TMS_73	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1374.88
Gas Chromatography	N(6')-acetylkanamycin B_TMS_74	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1762.6
Gas Chromatography	N(6')-acetylkanamycin B_TMS_75	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3318.07
Gas Chromatography	N(6')-acetylkanamycin B_TMS_76	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2196.18
Gas Chromatography	N(6')-acetylkanamycin B_TMS_77	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	805.101
Gas Chromatography	N(6')-acetylkanamycin B_TMS_78	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2404.66
Gas Chromatography	N(6')-acetylkanamycin B_TMS_79	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1118.52
Gas Chromatography	N(6')-acetylkanamycin B_TMS_80	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2645.82
Gas Chromatography	N(6')-acetylkanamycin B_TMS_81	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1921.68
Gas Chromatography	N(6')-acetylkanamycin B_TMS_82	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3251.49
Gas Chromatography	N(6')-acetylkanamycin B_TMS_83	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1325.03
Gas Chromatography	N(6')-acetylkanamycin B_TMS_84	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	3210.97
Gas Chromatography	N(6')-acetylkanamycin B_TMS_85	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	684.862
Gas Chromatography	N(6')-acetylkanamycin B_TMS_86	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2215.87
Gas Chromatography	N(6')-acetylkanamycin B_TMS_87	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1580.2
Gas Chromatography	N(6')-acetylkanamycin B_TMS_88	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	938.701
Gas Chromatography	N(6')-acetylkanamycin B_TMS_89	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2941.93
Gas Chromatography	N(6')-acetylkanamycin B_TMS_90	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1659.72
Gas Chromatography	N(6')-acetylkanamycin B_TMS_91	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2371.01
Gas Chromatography	N(6')-acetylkanamycin B_TMS_92	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2179.7
Gas Chromatography	N(6')-acetylkanamycin B_TMS_93	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1846.24
Gas Chromatography	N(6')-acetylkanamycin B_TMS_94	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1974.18
Gas Chromatography	N(6')-acetylkanamycin B_TMS_95	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1139.56
Gas Chromatography	N(6')-acetylkanamycin B_TMS_96	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3114.2
Gas Chromatography	N(6')-acetylkanamycin B_TMS_97	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1719.96
Gas Chromatography	N(6')-acetylkanamycin B_TMS_98	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1483.12
Gas Chromatography	N(6')-acetylkanamycin B_TMS_99	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	3080.82
Gas Chromatography	N(6')-acetylkanamycin B_TMS_100	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2344.16
Gas Chromatography	N(6')-acetylkanamycin B_TMS_101	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1533.31
Gas Chromatography	N(6')-acetylkanamycin B_TMS_102	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	698.529
Gas Chromatography	N(6')-acetylkanamycin B_TMS_103	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2202.22
Gas Chromatography	N(6')-acetylkanamycin B_TMS_104	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2732.22
Gas Chromatography	N(6')-acetylkanamycin B_TMS_105	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	712.349
Gas Chromatography	N(6')-acetylkanamycin B_TMS_106	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2609.06
Gas Chromatography	N(6')-acetylkanamycin B_TMS_107	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2065.63
Gas Chromatography	N(6')-acetylkanamycin B_TMS_108	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2044.86
Gas Chromatography	N(6')-acetylkanamycin B_TMS_109	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1777.24
Gas Chromatography	N(6')-acetylkanamycin B_TMS_110	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1031.69
Gas Chromatography	N(6')-acetylkanamycin B_TMS_111	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1317.73
Gas Chromatography	N(6')-acetylkanamycin B_TMS_112	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1332.72
Gas Chromatography	N(6')-acetylkanamycin B_TMS_113	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1982.63
Gas Chromatography	N(6')-acetylkanamycin B_TMS_114	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2558.3
Gas Chromatography	N(6')-acetylkanamycin B_TMS_115	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2256.98
Gas Chromatography	N(6')-acetylkanamycin B_TMS_116	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1660.81
Gas Chromatography	N(6')-acetylkanamycin B_TMS_117	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2891.7
Gas Chromatography	N(6')-acetylkanamycin B_TMS_118	CC(O)=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1719.49
Gas Chromatography	N(6')-acetylkanamycin B_TMS_119	CC(=NC[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]([NH3+])[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1370.39

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	9	Human ; Human subgingival plaque; Human feces; Human sputum
Bacteria	Proteobacteria	2	Human ; Human subgingival plaque; Human feces; Human sputum

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

26331149

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25246052

PDB ID

Not Available

ChEBI ID

58390

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for N(6')-acetylkanamycin B (MMDBc0056190)

MOL for #<Metabolite:0x00007f9aa925e7e8>

3D MOL for #<Metabolite:0x00007f9aa925e7e8>

3D SDF for #<Metabolite:0x00007f9aa925e7e8>

3D-SDF for #<Metabolite:0x00007f9aa925e7e8>

PDB for #<Metabolite:0x00007f9aa925e7e8>

3D PDB for #<Metabolite:0x00007f9aa925e7e8>

SMILES for #<Metabolite:0x00007f9aa925e7e8>

INCHI for #<Metabolite:0x00007f9aa925e7e8>

Structure for #<Metabolite:0x00007f9aa925e7e8>

3D Structure for #<Metabolite:0x00007f9aa925e7e8>