Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:24 UTC
Update Date2021-09-14 15:29:57 UTC
HMDB IDHMDB0028765
Secondary Accession Numbers
  • HMDB28765
Metabolite Identification
Common NameAspartyl-Tyrosine
DescriptionAspartyl-Tyrosine is a dipeptide composed of aspartate and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.
Structure
Data?1582753337
Synonyms
ValueSource
Asp-tyrHMDB
Aspartate tyrosine dipeptideHMDB
Aspartate-tyrosine dipeptideHMDB
AspartyltyrosineHMDB
D-Y dipeptideHMDB
DY dipeptideHMDB
L-Aspartyl-L-tyrosineHMDB
3-Amino-3-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}propanoateHMDB
Chemical FormulaC13H16N2O6
Average Molecular Weight296.2759
Monoisotopic Molecular Weight296.100836254
IUPAC Name3-amino-3-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Traditional Name3-amino-3-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
CAS Registry NumberNot Available
SMILES
NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C13H16N2O6/c14-9(6-11(17)18)12(19)15-10(13(20)21)5-7-1-3-8(16)4-2-7/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)
InChI KeyNALWOULWGHTVDA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • Aspartic acid or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty amide
  • Fatty acyl
  • Benzenoid
  • N-acyl-amine
  • Dicarboxylic acid or derivatives
  • Monocyclic benzene moiety
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.75Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.5 g/LALOGPS
logP-2.5ALOGPS
logP-2.9ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)3ChemAxon
pKa (Strongest Basic)8.48ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area149.95 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity70.43 m³·mol⁻¹ChemAxon
Polarizability28.65 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+168.20431661259
DarkChem[M-H]-163.45231661259
DeepCCS[M+H]+165.10830932474
DeepCCS[M-H]-162.7530932474
DeepCCS[M-2H]-195.63630932474
DeepCCS[M+Na]+171.20130932474
AllCCS[M+H]+166.232859911
AllCCS[M+H-H2O]+163.132859911
AllCCS[M+NH4]+169.132859911
AllCCS[M+Na]+169.932859911
AllCCS[M-H]-166.132859911
AllCCS[M+Na-2H]-166.332859911
AllCCS[M+HCOO]-166.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Aspartyl-TyrosineNC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O4138.1Standard polar33892256
Aspartyl-TyrosineNC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O2300.7Standard non polar33892256
Aspartyl-TyrosineNC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O3068.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aspartyl-Tyrosine,1TMS,isomer #1C[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O2778.2Semi standard non polar33892256
Aspartyl-Tyrosine,1TMS,isomer #2C[Si](C)(C)OC1=CC=C(CC(NC(=O)C(N)CC(=O)O)C(=O)O)C=C12775.5Semi standard non polar33892256
Aspartyl-Tyrosine,1TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CC(=O)O2767.9Semi standard non polar33892256
Aspartyl-Tyrosine,1TMS,isomer #4C[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O2823.2Semi standard non polar33892256
Aspartyl-Tyrosine,1TMS,isomer #5C[Si](C)(C)N(C(=O)C(N)CC(=O)O)C(CC1=CC=C(O)C=C1)C(=O)O2811.3Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #1C[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2773.7Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #10C[Si](C)(C)N(C(CC(=O)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2974.2Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #11C[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2827.0Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #2C[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2735.0Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #3C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O2783.5Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #4C[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2733.4Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(N)CC(=O)O2775.2Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #6C[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2821.7Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(N)CC(=O)O)[Si](C)(C)C)C=C12784.5Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #8C[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2791.0Semi standard non polar33892256
Aspartyl-Tyrosine,2TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(N)CC(=O)O)[Si](C)(C)C2741.8Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #1C[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2761.0Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #10C[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C12943.5Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #11C[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2806.9Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #12C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2905.1Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #13C[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2743.0Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #14C[Si](C)(C)N(C(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)O2948.4Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #2C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2787.7Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #3C[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2747.2Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #4C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2733.9Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #5C[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2643.0Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #6C[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2905.9Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #7C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2731.4Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #8C[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2803.7Semi standard non polar33892256
Aspartyl-Tyrosine,3TMS,isomer #9C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(N)CC(=O)O)[Si](C)(C)C2756.2Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #1C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2768.9Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #1C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2662.8Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12953.1Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12834.4Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #11C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2893.1Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #11C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2844.3Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2733.7Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2641.8Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #3C[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2927.6Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #3C[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2789.9Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #4C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2765.6Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #4C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2726.0Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #5C[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2830.4Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #5C[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2795.1Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #6C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2679.8Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #6C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2724.7Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #7C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2876.5Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #7C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2873.1Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #8C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2933.6Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #8C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C2769.1Standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #9C[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2772.0Semi standard non polar33892256
Aspartyl-Tyrosine,4TMS,isomer #9C[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2708.1Standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2861.5Semi standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2783.0Standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #2C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2757.7Semi standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #2C[Si](C)(C)NC(CC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2727.3Standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #3C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2926.6Semi standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #3C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2841.0Standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #4C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2851.1Semi standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #4C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2848.8Standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2938.9Semi standard non polar33892256
Aspartyl-Tyrosine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2820.8Standard non polar33892256
Aspartyl-Tyrosine,6TMS,isomer #1C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2939.2Semi standard non polar33892256
Aspartyl-Tyrosine,6TMS,isomer #1C[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2849.0Standard non polar33892256
Aspartyl-Tyrosine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O3048.3Semi standard non polar33892256
Aspartyl-Tyrosine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)C(N)CC(=O)O)C(=O)O)C=C13036.5Semi standard non polar33892256
Aspartyl-Tyrosine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(N)CC(=O)O3048.2Semi standard non polar33892256
Aspartyl-Tyrosine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O3057.7Semi standard non polar33892256
Aspartyl-Tyrosine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(=O)O)C(CC1=CC=C(O)C=C1)C(=O)O3079.3Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3314.7Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(CC(=O)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3390.0Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3327.5Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3250.5Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O3273.4Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3259.4Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)C(N)CC(=O)O3313.1Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3311.8Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(N)CC(=O)O)[Si](C)(C)C(C)(C)C)C=C13320.6Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3275.8Semi standard non polar33892256
Aspartyl-Tyrosine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(N)CC(=O)O)[Si](C)(C)C(C)(C)C3260.8Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3510.6Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(CC(NC(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13674.6Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3571.8Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3571.9Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3448.1Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=C(O)C=C1)C(=O)O3615.3Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3562.3Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3521.5Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3424.9Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3393.3Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3583.4Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3454.8Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3542.8Semi standard non polar33892256
Aspartyl-Tyrosine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)C(N)CC(=O)O)[Si](C)(C)C(C)(C)C3514.5Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3705.3Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3362.2Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13901.5Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N(C(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13460.3Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3777.8Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3495.6Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3695.3Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(N)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3353.8Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3885.9Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3458.5Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3736.5Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3399.0Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3750.7Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3464.1Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3575.1Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3418.3Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3784.3Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3509.7Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3868.1Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3431.0Standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3731.5Semi standard non polar33892256
Aspartyl-Tyrosine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CC(=O)O)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3393.1Standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4067.1Semi standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3586.9Standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3887.6Semi standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3537.5Standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4089.1Semi standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3628.4Standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[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)C3939.9Semi standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)N(C(CC1=CC=C(O)C=C1)C(=O)O[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)C3663.4Standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4080.1Semi standard non polar33892256
Aspartyl-Tyrosine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)C(CC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3617.4Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9420000000-22b7cf95972871364eda2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (3 TMS) - 70eV, Positivesplash10-01td-8911600000-fc3caa110dfa616c9f3d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aspartyl-Tyrosine GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 10V, Positive-QTOFsplash10-004i-2290000000-75db7fefbf050a8c58562017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 20V, Positive-QTOFsplash10-0079-9750000000-ccc24180fc659a3721272017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 40V, Positive-QTOFsplash10-006x-9200000000-1d03723924ceb1f022fd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 10V, Negative-QTOFsplash10-0f6t-0190000000-34256821c1cd92dda5332017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 20V, Negative-QTOFsplash10-0f89-1890000000-f646ad2e78124e9603c42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 40V, Negative-QTOFsplash10-01x3-7900000000-d3c556b73ec03e55e81c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 10V, Positive-QTOFsplash10-003j-0890000000-bda8ea6fa553125999192021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 20V, Positive-QTOFsplash10-0079-6900000000-17372090dfbdee7d54b52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 40V, Positive-QTOFsplash10-006x-9500000000-f61e65b4b3ac2963a07d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 10V, Negative-QTOFsplash10-01sj-0970000000-de5e8f597945740c7d632021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 20V, Negative-QTOFsplash10-01x0-3900000000-9a60d8adf71bdb5eaca82021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aspartyl-Tyrosine 40V, Negative-QTOFsplash10-006x-9700000000-f8c627534c3421dd6da42021-10-11Wishart 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
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111818
KNApSAcK IDNot Available
Chemspider ID13585187
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound19365650
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Maklashina E, Rajagukguk S, McIntire WS, Cecchini G: Mutation of the heme axial ligand of Escherichia coli succinate-quinone reductase: implications for heme ligation in mitochondrial complex II from yeast. Biochim Biophys Acta. 2010 Jun-Jul;1797(6-7):747-54. doi: 10.1016/j.bbabio.2010.01.019. Epub 2010 Jan 25. [PubMed:20100456 ]
  2. Baudinette RV, Boontheung P, Musgrave IF, Wabnitz PA, Maselli VM, Skinner J, Alewood PF, Brinkworth CS, Bowie JH: An immunomodulator used to protect young in the pouch of the Tammar wallaby, Macropus eugenii. FEBS J. 2005 Jan;272(2):433-43. [PubMed:15654881 ]