Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:05:59 UTC
Update Date2022-03-07 02:55:32 UTC
HMDB IDHMDB0037841
Secondary Accession Numbers
  • HMDB37841
Metabolite Identification
Common NameN-(1-Deoxy-1-fructosyl)methionine
DescriptionN-(1-Deoxy-1-fructosyl)methionine 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 N-(1-Deoxy-1-fructosyl)methionine.
Structure
Data?1563863096
Synonyms
ValueSource
1-[[1-Carboxy-3-(methylthio)propyl]amino]-1-deoxyfructose, 9ciHMDB
(2S)-4-(Methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoateGenerator
(2S)-4-(Methylsulphanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoateGenerator
(2S)-4-(Methylsulphanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acidGenerator
Chemical FormulaC11H21NO7S
Average Molecular Weight311.352
Monoisotopic Molecular Weight311.103872721
IUPAC Name(2S)-4-(methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid
Traditional Name(2S)-4-(methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid
CAS Registry Number20638-92-0
SMILES
CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O
InChI Identifier
InChI=1S/C11H21NO7S/c1-20-3-2-6(10(16)17)12-5-11(18)9(15)8(14)7(4-13)19-11/h6-9,12-15,18H,2-5H2,1H3,(H,16,17)/t6-,7+,8+,9-,11?/m0/s1
InChI KeyKEGDHFMPWJTRFP-ZVSNZSLMSA-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
  • 3-phenylpropanoic-acid
  • Glycosyl compound
  • C-glycosyl compound
  • Alpha-amino acid
  • Pentose monosaccharide
  • L-alpha-amino acid
  • Amphetamine or derivatives
  • Aralkylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monosaccharide
  • Benzenoid
  • Monocyclic benzene moiety
  • Tetrahydrofuran
  • Secondary alcohol
  • Hemiacetal
  • Amino acid
  • Carboxylic acid
  • Secondary aliphatic amine
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Secondary amine
  • Polyol
  • Amine
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Alcohol
  • Carbonyl group
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Primary alcohol
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point95 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility62.2 g/LALOGPS
logP-2.3ALOGPS
logP-4.2ChemAxon
logS-0.7ALOGPS
pKa (Strongest Acidic)1.58ChemAxon
pKa (Strongest Basic)8.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area139.48 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity70.46 m³·mol⁻¹ChemAxon
Polarizability30 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+172.82831661259
DarkChem[M-H]-167.53731661259
DeepCCS[M+H]+171.59430932474
DeepCCS[M-H]-168.47330932474
DeepCCS[M-2H]-203.99430932474
DeepCCS[M+Na]+180.15930932474
AllCCS[M+H]+169.432859911
AllCCS[M+H-H2O]+166.532859911
AllCCS[M+NH4]+172.032859911
AllCCS[M+Na]+172.832859911
AllCCS[M-H]-168.332859911
AllCCS[M+Na-2H]-168.632859911
AllCCS[M+HCOO]-169.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-(1-Deoxy-1-fructosyl)methionineCSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O4071.7Standard polar33892256
N-(1-Deoxy-1-fructosyl)methionineCSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O2440.7Standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionineCSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O2628.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-(1-Deoxy-1-fructosyl)methionine,1TMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O2567.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TMS,isomer #2CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O2543.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TMS,isomer #3CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O2565.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TMS,isomer #4CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O2571.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TMS,isomer #5CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C2493.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TMS,isomer #6CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C2539.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O2562.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #10CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O2552.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #11CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C2486.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #12CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2548.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #13CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2490.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #14CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2553.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #15CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C2529.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #2CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O2570.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #3CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O2562.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #4CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C2476.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #5CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C2569.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #6CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O2539.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #7CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O2557.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #8CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C2473.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TMS,isomer #9CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C2548.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O2549.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #10CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C2539.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #11CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O2540.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #12CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C2471.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #13CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2543.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #14CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2495.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #15CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2566.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #16CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C2517.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #17CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2491.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #18CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2546.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #19CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2526.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #2CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O2547.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #20CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2536.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #3CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C2472.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #4CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C2572.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #5CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O2541.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #6CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C2490.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #7CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2568.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #8CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2478.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TMS,isomer #9CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2573.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O2520.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #10CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2554.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #11CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2486.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #12CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2542.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #13CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2523.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #14CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2548.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #15CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2525.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #2CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C2482.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #3CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2560.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #4CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2488.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #5CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2573.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #6CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C2545.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #7CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2477.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #8CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2576.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TMS,isomer #9CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2542.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C2497.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TMS,isomer #2CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2598.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TMS,isomer #3CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2564.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2580.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2586.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TMS,isomer #6CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2555.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,6TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2632.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,6TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2595.3Standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TBDMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O2824.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TBDMS,isomer #2CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O2793.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TBDMS,isomer #3CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O2809.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TBDMS,isomer #4CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O2817.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TBDMS,isomer #5CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C2755.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,1TBDMS,isomer #6CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2787.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O3024.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #10CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3034.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #11CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3009.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #12CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3053.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #13CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3012.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #14CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3050.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #15CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3023.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #2CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O3046.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #3CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3045.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #4CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3004.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #5CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3046.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #6CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O2997.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #7CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3025.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #8CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C2982.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,2TBDMS,isomer #9CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3029.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O3218.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #10CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3266.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #11CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3229.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #12CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3200.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #13CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3257.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #14CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3224.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #15CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3289.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #16CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3249.4Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #17CSCC[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3213.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #18CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3282.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #19CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3268.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #2CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3229.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #20CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3275.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #3CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3200.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #4CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3292.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #5CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3233.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #6CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3209.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3295.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #8CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3212.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,3TBDMS,isomer #9CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3299.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O3407.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #10CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3464.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #11CSCC[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3396.0Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #12CSCC[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3464.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #13CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3434.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #14CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3469.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #15CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3445.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #2CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C3369.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3484.9Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #4CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3386.6Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #5CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3504.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #6CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C3466.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #7CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3367.5Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #8CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3483.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,4TBDMS,isomer #9CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3453.8Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TBDMS,isomer #1CSCC[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3516.7Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TBDMS,isomer #2CSCC[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3682.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TBDMS,isomer #3CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C3627.2Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3648.3Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3612.1Semi standard non polar33892256
N-(1-Deoxy-1-fructosyl)methionine,5TBDMS,isomer #6CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3607.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine GC-MS (Non-derivatized) - 70eV, Positivesplash10-00kf-9660000000-63d9943ff0fdbf66e9f42017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine GC-MS (5 TMS) - 70eV, Positivesplash10-0a4i-9411147000-2046d21ec1249bec68692017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 10V, Positive-QTOFsplash10-03di-2975000000-fc782f3880b71363d7ba2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 20V, Positive-QTOFsplash10-02ta-5791000000-10f214e7952f11904c0e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 40V, Positive-QTOFsplash10-02t9-6900000000-b9f78c1ee7f6e0d032442016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 10V, Negative-QTOFsplash10-01ot-9335000000-d93cd123c3ffb7e50f402016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 20V, Negative-QTOFsplash10-0002-9130000000-8dfbb52f718e5d8aa3b12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 40V, Negative-QTOFsplash10-0005-9000000000-6b408bd2cd378edaf80f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 10V, Negative-QTOFsplash10-03di-1029000000-b916a8b2cbf86c01a64d2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 20V, Negative-QTOFsplash10-0002-9110000000-e4d6afc5cd2b312cf3a82021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 40V, Negative-QTOFsplash10-0002-9200000000-f2ddfa9d04bbe0d9ce0f2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 10V, Positive-QTOFsplash10-03dl-0095000000-23c1147a5c877aa7f6c12021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 20V, Positive-QTOFsplash10-03di-1956000000-57ebb0bfcc2fb29cdac02021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)methionine 40V, Positive-QTOFsplash10-03di-9200000000-fa4125c15623f9be5e912021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDFDB016992
KNApSAcK IDNot Available
Chemspider ID9035182
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10859892
PDB IDNot Available
ChEBI ID174970
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .