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Showing metabocard for Tyrosinamide (HMDB0013319)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2009-11-30 15:52:53 UTC
Update Date2023-02-21 17:17:59 UTC
HMDB IDHMDB0013319
Secondary Accession Numbers
  • HMDB13319
Metabolite Identification
Common NameTyrosinamide
DescriptionTyrosinamide belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on Tyrosinamide.
Structure
Data?1676999879
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0013319 (Tyrosinamide)


  Mrv1652303102016522D          

 13 13  0  0  0  0            999 V2000
   11.0658  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4782   -9.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0658   -9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2408   -9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283   -9.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2408  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283  -11.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0033  -11.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5909  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0033   -9.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7659  -10.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5909  -12.0233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4782   -8.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0013319 (Tyrosinamide)

HMDB0253923
     RDKit          3D
L-Tyrosine amide
 25 25  0  0  0  0  0  0  0  0999 V2000
    4.0149   -0.5028    0.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354   -0.2225    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017    0.3371    2.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257   -0.5658    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -1.1942   -0.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    0.7414    0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564    0.5080    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622    0.4317   -1.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    0.2157   -1.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.0671   -0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6983   -0.1505   -0.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520    0.1442    0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260    0.3602    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3762    0.2369   -0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4281   -1.4439    0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386   -1.1815    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887   -0.4081   -1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454   -1.8646   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110    1.2483    1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2834    1.3955   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255    0.5433   -2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190    0.1538   -2.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2703    0.7010   -1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7113    0.0285    1.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994    0.4214    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END
Download

3D SDF for HMDB0013319 (Tyrosinamide)


  Mrv1652303102016522D          

 13 13  0  0  0  0            999 V2000
   11.0658  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4782   -9.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0658   -9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2408   -9.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283   -9.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2408  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283  -11.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0033  -11.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5909  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0033   -9.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7659  -10.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5909  -12.0233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4782   -8.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0013319

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CC=C(O)C=C1)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)

> <INCHI_KEY>
PQFMNVGMJJMLAE-UHFFFAOYSA-N

> <FORMULA>
C9H12N2O2

> <MOLECULAR_WEIGHT>
180.2038

> <EXACT_MASS>
180.089877638

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
18.562462407833028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-amino-3-(4-hydroxyphenyl)propanamide

> <ALOGPS_LOGP>
-0.65

> <JCHEM_LOGP>
-0.194346581161179

> <ALOGPS_LOGS>
-1.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
16.42337641463116

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.518871395725094

> <JCHEM_PKA_STRONGEST_BASIC>
8.027456876173645

> <JCHEM_POLAR_SURFACE_AREA>
89.34

> <JCHEM_REFRACTIVITY>
48.9194

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.98e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-3-(4-hydroxyphenyl)propanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0013319 (Tyrosinamide)

HMDB0253923
     RDKit          3D
L-Tyrosine amide
 25 25  0  0  0  0  0  0  0  0999 V2000
    4.0149   -0.5028    0.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354   -0.2225    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017    0.3371    2.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257   -0.5658    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -1.1942   -0.7330 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    0.7414    0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564    0.5080    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622    0.4317   -1.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    0.2157   -1.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.0671   -0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6983   -0.1505   -0.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520    0.1442    0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260    0.3602    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3762    0.2369   -0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4281   -1.4439    0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386   -1.1815    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887   -0.4081   -1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454   -1.8646   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110    1.2483    1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2834    1.3955   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3255    0.5433   -2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190    0.1538   -2.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2703    0.7010   -1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7113    0.0285    1.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994    0.4214    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END
Download

PDB for HMDB0013319 (Tyrosinamide)

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0      20.656 -19.777   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.426 -18.443   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.656 -17.109   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.116 -17.109   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.346 -18.443   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.116 -19.777   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.346 -21.111   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.806 -21.111   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.036 -19.777   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      16.806 -18.443   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      14.496 -19.777   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      16.036 -22.443   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0      21.426 -15.775   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   13                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8                                                            
CONECT   13    3                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END
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3D PDB for HMDB0013319 (Tyrosinamide)

COMPND    HMDB0253923
HETATM    1  N1  UNL     1       4.015  -0.503   0.064  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.935  -0.222   0.933  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.202   0.337   2.033  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.526  -0.566   0.585  1.00  0.00           C  
HETATM    5  N2  UNL     1       1.546  -1.194  -0.733  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.776   0.741   0.445  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.656   0.508   0.096  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.062   0.432  -1.221  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.388   0.216  -1.542  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.363   0.067  -0.569  1.00  0.00           C  
HETATM   11  O2  UNL     1      -4.698  -0.151  -0.890  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.952   0.144   0.746  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.626   0.360   1.066  1.00  0.00           C  
HETATM   14  H1  UNL     1       4.376   0.237  -0.558  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.428  -1.444   0.062  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.039  -1.181   1.345  1.00  0.00           H  
HETATM   17  H4  UNL     1       1.789  -0.408  -1.408  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.345  -1.865  -0.820  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.811   1.248   1.429  1.00  0.00           H  
HETATM   20  H7  UNL     1       1.283   1.395  -0.300  1.00  0.00           H  
HETATM   21  H8  UNL     1      -0.326   0.543  -2.029  1.00  0.00           H  
HETATM   22  H9  UNL     1      -2.719   0.154  -2.564  1.00  0.00           H  
HETATM   23  H10 UNL     1      -5.270   0.701  -1.000  1.00  0.00           H  
HETATM   24  H11 UNL     1      -3.711   0.028   1.514  1.00  0.00           H  
HETATM   25  H12 UNL     1      -1.299   0.421   2.096  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3    3    4
CONECT    4    5    6   16
CONECT    5   17   18
CONECT    6    7   19   20
CONECT    7    8    8   13
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   12
CONECT   11   23
CONECT   12   13   13   24
CONECT   13   25
END
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SMILES for HMDB0013319 (Tyrosinamide)

NC(CC1=CC=C(O)C=C1)C(N)=O
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INCHI for HMDB0013319 (Tyrosinamide)

InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-amino-3-(4-Hydroxyphenyl)propanamideHMDB
L-TyrosinamideHMDB
L-Tyrosine amideHMDB
Tyrosine amideHMDB
2-Amino-3-(4-hydroxyphenyl)propanimidateGenerator
Chemical FormulaC9H12N2O2
Average Molecular Weight180.2038
Monoisotopic Molecular Weight180.089877638
IUPAC Name2-amino-3-(4-hydroxyphenyl)propanamide
Traditional Name2-amino-3-(4-hydroxyphenyl)propanamide
CAS Registry NumberNot Available
SMILES
NC(CC1=CC=C(O)C=C1)C(N)=O
InChI Identifier
InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)
InChI KeyPQFMNVGMJJMLAE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentTyrosine and derivatives
Alternative Parents
Substituents
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • Alpha-amino acid amide
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Aralkylamine
  • Monocyclic benzene moiety
  • Fatty amide
  • Fatty acyl
  • Benzenoid
  • Carboxamide group
  • Primary carboxylic acid amide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxide
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.98 g/LALOGPS
logP-0.65ALOGPS
logP-0.19ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)9.52ChemAxon
pKa (Strongest Basic)8.03ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area89.34 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity48.92 m³·mol⁻¹ChemAxon
Polarizability18.56 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+140.50931661259
DarkChem[M-H]-136.38831661259
DeepCCS[M+H]+140.65330932474
DeepCCS[M-H]-138.27230932474
DeepCCS[M-2H]-174.12330932474
DeepCCS[M+Na]+149.36530932474
AllCCS[M+H]+140.632859911
AllCCS[M+H-H2O]+136.432859911
AllCCS[M+NH4]+144.532859911
AllCCS[M+Na]+145.632859911
AllCCS[M-H]-139.432859911
AllCCS[M+Na-2H]-140.332859911
AllCCS[M+HCOO]-141.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TyrosinamideNC(CC1=CC=C(O)C=C1)C(N)=O3066.9Standard polar33892256
TyrosinamideNC(CC1=CC=C(O)C=C1)C(N)=O1819.7Standard non polar33892256
TyrosinamideNC(CC1=CC=C(O)C=C1)C(N)=O2046.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tyrosinamide,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(CC(N)C(N)=O)C=C11957.4Semi standard non polar33892256
Tyrosinamide,1TMS,isomer #2C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(N)=O2018.3Semi standard non polar33892256
Tyrosinamide,1TMS,isomer #3C[Si](C)(C)NC(=O)C(N)CC1=CC=C(O)C=C12035.5Semi standard non polar33892256
Tyrosinamide,2TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)=O2016.0Semi standard non polar33892256
Tyrosinamide,2TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)=O1923.3Standard non polar33892256
Tyrosinamide,2TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)=O2748.1Standard polar33892256
Tyrosinamide,2TMS,isomer #2C[Si](C)(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C12002.8Semi standard non polar33892256
Tyrosinamide,2TMS,isomer #2C[Si](C)(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C11926.8Standard non polar33892256
Tyrosinamide,2TMS,isomer #2C[Si](C)(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C12696.7Standard polar33892256
Tyrosinamide,2TMS,isomer #3C[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C2068.0Semi standard non polar33892256
Tyrosinamide,2TMS,isomer #3C[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C2027.5Standard non polar33892256
Tyrosinamide,2TMS,isomer #3C[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C2604.2Standard polar33892256
Tyrosinamide,2TMS,isomer #4C[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(N)=O)[Si](C)(C)C2142.5Semi standard non polar33892256
Tyrosinamide,2TMS,isomer #4C[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(N)=O)[Si](C)(C)C2115.6Standard non polar33892256
Tyrosinamide,2TMS,isomer #4C[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(N)=O)[Si](C)(C)C3002.9Standard polar33892256
Tyrosinamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C2166.3Semi standard non polar33892256
Tyrosinamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C2117.3Standard non polar33892256
Tyrosinamide,2TMS,isomer #5C[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C2861.9Standard polar33892256
Tyrosinamide,3TMS,isomer #1C[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C2030.4Semi standard non polar33892256
Tyrosinamide,3TMS,isomer #1C[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C2004.5Standard non polar33892256
Tyrosinamide,3TMS,isomer #1C[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C2311.5Standard polar33892256
Tyrosinamide,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(CC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C12174.0Semi standard non polar33892256
Tyrosinamide,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(CC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C12110.9Standard non polar33892256
Tyrosinamide,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(CC(C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C12566.3Standard polar33892256
Tyrosinamide,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C12105.7Semi standard non polar33892256
Tyrosinamide,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C12105.3Standard non polar33892256
Tyrosinamide,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C12435.4Standard polar33892256
Tyrosinamide,3TMS,isomer #4C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C2158.2Semi standard non polar33892256
Tyrosinamide,3TMS,isomer #4C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C2232.3Standard non polar33892256
Tyrosinamide,3TMS,isomer #4C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C2403.7Standard polar33892256
Tyrosinamide,3TMS,isomer #5C[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C2187.4Semi standard non polar33892256
Tyrosinamide,3TMS,isomer #5C[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C2213.7Standard non polar33892256
Tyrosinamide,3TMS,isomer #5C[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C2445.7Standard polar33892256
Tyrosinamide,4TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C2147.1Semi standard non polar33892256
Tyrosinamide,4TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C2175.1Standard non polar33892256
Tyrosinamide,4TMS,isomer #1C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C2219.8Standard polar33892256
Tyrosinamide,4TMS,isomer #2C[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2215.6Semi standard non polar33892256
Tyrosinamide,4TMS,isomer #2C[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2153.2Standard non polar33892256
Tyrosinamide,4TMS,isomer #2C[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2261.6Standard polar33892256
Tyrosinamide,4TMS,isomer #3C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2258.5Semi standard non polar33892256
Tyrosinamide,4TMS,isomer #3C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2377.2Standard non polar33892256
Tyrosinamide,4TMS,isomer #3C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2322.7Standard polar33892256
Tyrosinamide,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C12374.0Semi standard non polar33892256
Tyrosinamide,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C12319.4Standard non polar33892256
Tyrosinamide,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(CC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C12186.1Standard polar33892256
Tyrosinamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(N)=O)C=C12206.4Semi standard non polar33892256
Tyrosinamide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(N)=O2255.6Semi standard non polar33892256
Tyrosinamide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=CC=C(O)C=C12276.2Semi standard non polar33892256
Tyrosinamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)=O2533.7Semi standard non polar33892256
Tyrosinamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)=O2406.1Standard non polar33892256
Tyrosinamide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)=O2889.8Standard polar33892256
Tyrosinamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C12552.9Semi standard non polar33892256
Tyrosinamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C12414.0Standard non polar33892256
Tyrosinamide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C12819.0Standard polar33892256
Tyrosinamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C2521.2Semi standard non polar33892256
Tyrosinamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C2500.3Standard non polar33892256
Tyrosinamide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C2683.1Standard polar33892256
Tyrosinamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(N)=O)[Si](C)(C)C(C)(C)C2559.8Semi standard non polar33892256
Tyrosinamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(N)=O)[Si](C)(C)C(C)(C)C2549.3Standard non polar33892256
Tyrosinamide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(N)=O)[Si](C)(C)C(C)(C)C2972.3Standard polar33892256
Tyrosinamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C2556.1Semi standard non polar33892256
Tyrosinamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C2530.0Standard non polar33892256
Tyrosinamide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C2826.8Standard polar33892256
Tyrosinamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C2787.8Semi standard non polar33892256
Tyrosinamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C2660.3Standard non polar33892256
Tyrosinamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C2645.9Standard polar33892256
Tyrosinamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C12884.8Semi standard non polar33892256
Tyrosinamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C12720.5Standard non polar33892256
Tyrosinamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C12817.1Standard polar33892256
Tyrosinamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C12859.2Semi standard non polar33892256
Tyrosinamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C12709.4Standard non polar33892256
Tyrosinamide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C12694.3Standard polar33892256
Tyrosinamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2817.3Semi standard non polar33892256
Tyrosinamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2829.8Standard non polar33892256
Tyrosinamide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2652.7Standard polar33892256
Tyrosinamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2850.4Semi standard non polar33892256
Tyrosinamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2807.3Standard non polar33892256
Tyrosinamide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2679.2Standard polar33892256
Tyrosinamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3113.9Semi standard non polar33892256
Tyrosinamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2941.4Standard non polar33892256
Tyrosinamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2629.8Standard polar33892256
Tyrosinamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3156.8Semi standard non polar33892256
Tyrosinamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2913.4Standard non polar33892256
Tyrosinamide,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2653.7Standard polar33892256
Tyrosinamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3138.5Semi standard non polar33892256
Tyrosinamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3084.9Standard non polar33892256
Tyrosinamide,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2657.8Standard polar33892256
Tyrosinamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13459.0Semi standard non polar33892256
Tyrosinamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13179.6Standard non polar33892256
Tyrosinamide,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C12657.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-05cf-9800000000-a95f150e9e1f15e1ca492017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (1 TMS) - 70eV, Positivesplash10-00du-9740000000-537863b2fbf60cbec4952017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tyrosinamide GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 10V, Positive-QTOFsplash10-01qi-0900000000-afd4488ec641f68cce712017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 20V, Positive-QTOFsplash10-00kr-0900000000-a0d47c3911fd759338772017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 40V, Positive-QTOFsplash10-0ar0-6900000000-63f3644aa37c632b884e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 10V, Negative-QTOFsplash10-004i-0900000000-5831296180ba791ee2482017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 20V, Negative-QTOFsplash10-004i-2900000000-81e8454349e022b5a4792017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 40V, Negative-QTOFsplash10-0006-9000000000-12d7a4f0b6ee21b7f5b42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 10V, Negative-QTOFsplash10-01t9-0900000000-d3b96ba5bbf3c4caeaf42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 20V, Negative-QTOFsplash10-07xu-2900000000-dc9984ee52cef62301442021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 40V, Negative-QTOFsplash10-0006-9000000000-57c2235599e9f6f994212021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 10V, Positive-QTOFsplash10-001r-0900000000-3716bef516de3c6f8ea82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 20V, Positive-QTOFsplash10-0a4r-1900000000-368e5cced0a0148739b92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tyrosinamide 40V, Positive-QTOFsplash10-0006-9300000000-05cf4b265fb3e96da7bd2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
 details
UrineDetected and Quantified1.9 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029381
KNApSAcK IDNot Available
Chemspider ID518039
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound595943
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available