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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-13 11:48:08 UTC
Update Date2023-02-21 17:29:02 UTC
HMDB IDHMDB0041922
Secondary Accession Numbers
  • HMDB41922
Metabolite Identification
Common NameMelamine
DescriptionMelamine is an organic base and a trimer of cyanamide, with a 1,3,5-triazine skeleton. Like cyanamide, it contains 66% nitrogen by mass and, if mixed with resins, has fire retardant properties due to its release of nitrogen gas when burned or charred, and has several other industrial uses. Melamine is also a metabolite of cyromazine, a pesticide. It is formed in the body of mammals who have ingested cyromazine. It has been reported that cyromazine can also be converted to melamine in plants. Melamine is combined with formaldehyde to produce melamine resin, a very durable thermosetting plastic used in Formica, and melamine foam, a polymeric cleaning product. The end products include countertops, dry erase boards, fabrics, glues, housewares, dinnerware, cooking spoons, guitar saddles, guitar nuts, acoustic foam paneling, and flame retardants. Melamine is one of the major components in Pigment Yellow 150, a colorant in inks and plastics. Melamine is sometimes illegally added to food products in order to increase the apparent protein content. Standard tests, such as the Kjeldahl and Dumas tests, estimate protein levels by measuring the nitrogen content, so they can be misled by adding nitrogen-rich compounds such as melamine.There is an instrument (SPRINT) developed by the company CEM Corp that allows the determination of protein content directly in some applications; this cannot be fooled by adding melamine in the sample. Ultrasound-assisted extractive electrospray ionization mass spectrometry (EESI-MS) has been developed at ETH Zurich (Switzerland) by Zhu et al., (2008) for a rapid detection of melamine in untreated food samples. Ultrasounds are used to nebulize the melamine-containing liquids into a fine spray. The spray is then ionised by extractive electrospray ionisation (EESI) and analysed using tandem mass spectrometry (MS/MS). An analysis requires 30 seconds per sample. The limit of detection of melamine is a few nanograms of melamine per gram of milk. Crystallization and washing of melamine generates a considerable amount of waste water, which is a pollutant if discharged directly into the environment. The waste water may be concentrated into a solid (1.5-5% of the weight) for easier disposal. The solid may contain approximately 70% melamine, 23% oxytriazines (ammeline, ammelide, and cyanuric acid), 0.7% polycondensates (melem, melam, and melon). In the Eurotecnica process, however, there is no solid waste and the contaminants are decomposed to ammonia and carbon dioxide and sent as off gas to the upstream urea plant; accordingly, the waste water can be recycled to the melamine plant itself or used as clean cooling water make-up. Melamine also enters the fabrication of melamine poly-sulfonate used as superplasticizer for making high-resistance concrete. Sulfonated melamine formaldehyde (SMF) is a polymer used as cement admixture to reduce the water content in concrete while increasing the fluidity and the workability of the mix during its handling and pouring. It results in concrete with a lower porosity and a higher mechanical strength, exhibiting an improved resistance to aggressive environments and a longer life-time.
Structure
Data?1677000542
Synonyms
ValueSource
1,3,5-Triazine-2,4,6-triamineChEBI
2,4,6-Triamino-1,3,5-triazineChEBI
2,4,6-Triamino-S-triazineChEBI
CyanuramideChEBI
Cyanuric triamideChEBI
CyanurotriamideChEBI
CyanurotriamineChEBI
S-TriazinetriamineChEBI
Sym-triaminotriazineChEBI
TriaminotriazineChEBI
1,3, 5-Triazine-2,4,6-triamineHMDB
1,3,5-Triazine-2,4,6(1H,3H,5H)-triimineHMDB
1,3,5-Triazine-2,4,6-triamine (acd/name 4.0)HMDB
2,4, 6-Triamino-1,3,5-triazineHMDB
2,4,6-TriaminotriazineHMDB
2,4,6-Tris(1-aziridinyl)-S-triazineHMDB
4,6-Diamino-1,2-dihydro-2-imino-S-triazineHMDB
ADK stab ZS 27HMDB
AeroHMDB
CyanurtriamideHMDB
CymelHMDB
DG 002 (Amine)HMDB
Hicophor PRHMDB
IsomelamineHMDB
Mark ZS 27HMDB
PluragardHMDB
Pluragard C 133HMDB
Spinflam ML 94mHMDB
TeoharnHMDB
TheoharnHMDB
TriethylenemelamineHMDB
TrisaziridinyltriazineHMDB
Virset 656-4HMDB
YukamelamineHMDB
Melamine sulfate (1:1)HMDB
Melamine sulfate (1:2)HMDB
Melamine sulfate (2:1), dihydrateHMDB
Melamine sulfate (4:1), tetrahydrateHMDB
Melamine oxalate (1:1)HMDB
Melamine phosphateHMDB
Melamine sulfite (1:1)HMDB
Melamine sulfite (2:1), tetrahydrateHMDB
Melaminium citrateHMDB
Melamine bis(oxymethyl)phosphonic acid saltHMDB
Melamine sulfite (2:1), dihydrateHMDB
Melaminium acetate acetic acid solvateHMDB
Chemical FormulaC3H6N6
Average Molecular Weight126.1199
Monoisotopic Molecular Weight126.065394222
IUPAC Name1,3,5-triazinane-2,4,6-triimine
Traditional Namemelamine
CAS Registry Number108-78-1
SMILES
N=C1NC(=N)NC(=N)N1
InChI Identifier
InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
InChI KeyJDSHMPZPIAZGSV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,3,5-triazines. 1,3,5-Triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTriazines
Sub Class1,3,5-triazines
Direct Parent1,3,5-triazines
Alternative Parents
Substituents
  • 1,3,5-triazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point345 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility3.24 mg/mL at 20 °CNot Available
LogP-1.37Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.62 g/LALOGPS
logP-1.9ALOGPS
logP-0.66ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)4.11ChemAxon
pKa (Strongest Basic)23.07ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area107.64 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity62.14 m³·mol⁻¹ChemAxon
Polarizability11.24 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]+127.01231661259
DarkChem[M-H]-125.70231661259
DeepCCS[M+H]+133.15830932474
DeepCCS[M-H]-130.70730932474
DeepCCS[M-2H]-167.1730932474
DeepCCS[M+Na]+142.16430932474
AllCCS[M+H]+131.332859911
AllCCS[M+H-H2O]+126.732859911
AllCCS[M+NH4]+135.632859911
AllCCS[M+Na]+136.832859911
AllCCS[M-H]-120.232859911
AllCCS[M+Na-2H]-122.532859911
AllCCS[M+HCOO]-125.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MelamineN=C1NC(=N)NC(=N)N13553.8Standard polar33892256
MelamineN=C1NC(=N)NC(=N)N11784.2Standard non polar33892256
MelamineN=C1NC(=N)NC(=N)N11965.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Melamine,1TMS,isomer #1C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)[NH]11765.0Semi standard non polar33892256
Melamine,1TMS,isomer #1C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)[NH]11725.2Standard non polar33892256
Melamine,1TMS,isomer #2C[Si](C)(C)N1C(=N)[NH]C(=N)[NH]C1=N1849.9Semi standard non polar33892256
Melamine,1TMS,isomer #2C[Si](C)(C)N1C(=N)[NH]C(=N)[NH]C1=N1735.3Standard non polar33892256
Melamine,2TMS,isomer #1C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)N1[Si](C)(C)C1766.8Semi standard non polar33892256
Melamine,2TMS,isomer #1C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)N1[Si](C)(C)C1809.8Standard non polar33892256
Melamine,2TMS,isomer #2C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C)[NH]11635.1Semi standard non polar33892256
Melamine,2TMS,isomer #2C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C)[NH]11880.5Standard non polar33892256
Melamine,2TMS,isomer #3C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N)[NH]11718.9Semi standard non polar33892256
Melamine,2TMS,isomer #3C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N)[NH]11838.7Standard non polar33892256
Melamine,2TMS,isomer #4C[Si](C)(C)N1C(=N)[NH]C(=N)N([Si](C)(C)C)C1=N1805.6Semi standard non polar33892256
Melamine,2TMS,isomer #4C[Si](C)(C)N1C(=N)[NH]C(=N)N([Si](C)(C)C)C1=N1813.1Standard non polar33892256
Melamine,3TMS,isomer #1C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N)[NH]C(=N)N1[Si](C)(C)C1872.6Semi standard non polar33892256
Melamine,3TMS,isomer #1C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N)[NH]C(=N)N1[Si](C)(C)C1865.4Standard non polar33892256
Melamine,3TMS,isomer #2C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N[Si](C)(C)C)[NH]11637.2Semi standard non polar33892256
Melamine,3TMS,isomer #2C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N[Si](C)(C)C)[NH]11925.9Standard non polar33892256
Melamine,3TMS,isomer #3C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N)N1[Si](C)(C)C1804.0Semi standard non polar33892256
Melamine,3TMS,isomer #3C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N)N1[Si](C)(C)C1893.7Standard non polar33892256
Melamine,3TMS,isomer #4C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C)N1[Si](C)(C)C1684.6Semi standard non polar33892256
Melamine,3TMS,isomer #4C[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C)N1[Si](C)(C)C1887.3Standard non polar33892256
Melamine,3TMS,isomer #5C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)[NH]C(=N[Si](C)(C)C)[NH]11604.9Semi standard non polar33892256
Melamine,3TMS,isomer #5C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)[NH]C(=N[Si](C)(C)C)[NH]11961.1Standard non polar33892256
Melamine,3TMS,isomer #6C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C1=N1878.0Semi standard non polar33892256
Melamine,3TMS,isomer #6C[Si](C)(C)N1C(=N)N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C1=N1908.7Standard non polar33892256
Melamine,4TMS,isomer #1C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C1790.5Semi standard non polar33892256
Melamine,4TMS,isomer #1C[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C1900.4Standard non polar33892256
Melamine,4TMS,isomer #2C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C(=N)N1[Si](C)(C)C1921.4Semi standard non polar33892256
Melamine,4TMS,isomer #2C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C(=N)N1[Si](C)(C)C1986.1Standard non polar33892256
Melamine,4TMS,isomer #3C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N)N1[Si](C)(C)C1794.4Semi standard non polar33892256
Melamine,4TMS,isomer #3C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N)N1[Si](C)(C)C1948.6Standard non polar33892256
Melamine,4TMS,isomer #4C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)[NH]11708.2Semi standard non polar33892256
Melamine,4TMS,isomer #4C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)[NH]11921.0Standard non polar33892256
Melamine,5TMS,isomer #1C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C1945.6Semi standard non polar33892256
Melamine,5TMS,isomer #1C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C2026.8Standard non polar33892256
Melamine,5TMS,isomer #2C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C1884.8Semi standard non polar33892256
Melamine,5TMS,isomer #2C[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C1957.4Standard non polar33892256
Melamine,6TMS,isomer #1C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C2107.4Semi standard non polar33892256
Melamine,6TMS,isomer #1C[Si](C)(C)N=C1N([Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)C(=N[Si](C)(C)C)N1[Si](C)(C)C2023.9Standard non polar33892256
Melamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)[NH]12022.2Semi standard non polar33892256
Melamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)[NH]11927.5Standard non polar33892256
Melamine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=N)[NH]C(=N)[NH]C1=N2053.2Semi standard non polar33892256
Melamine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=N)[NH]C(=N)[NH]C1=N1870.0Standard non polar33892256
Melamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)N1[Si](C)(C)C(C)(C)C2248.5Semi standard non polar33892256
Melamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N)N1[Si](C)(C)C(C)(C)C2202.0Standard non polar33892256
Melamine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C(C)(C)C)[NH]12103.5Semi standard non polar33892256
Melamine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C(C)(C)C)[NH]12267.1Standard non polar33892256
Melamine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N)[NH]12183.3Semi standard non polar33892256
Melamine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N)[NH]12212.2Standard non polar33892256
Melamine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=N)[NH]C(=N)N([Si](C)(C)C(C)(C)C)C1=N2290.5Semi standard non polar33892256
Melamine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=N)[NH]C(=N)N([Si](C)(C)C(C)(C)C)C1=N2202.1Standard non polar33892256
Melamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N)[NH]C(=N)N1[Si](C)(C)C(C)(C)C2458.2Semi standard non polar33892256
Melamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N)[NH]C(=N)N1[Si](C)(C)C(C)(C)C2492.4Standard non polar33892256
Melamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)[NH]12282.4Semi standard non polar33892256
Melamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)[NH]12512.6Standard non polar33892256
Melamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C2445.2Semi standard non polar33892256
Melamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C2507.4Standard non polar33892256
Melamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2336.2Semi standard non polar33892256
Melamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)[NH]C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2524.4Standard non polar33892256
Melamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)[NH]C(=N[Si](C)(C)C(C)(C)C)[NH]12193.1Semi standard non polar33892256
Melamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)[NH]C(=N[Si](C)(C)C(C)(C)C)[NH]12454.5Standard non polar33892256
Melamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C1=N2565.2Semi standard non polar33892256
Melamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(=N)N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C1=N2533.6Standard non polar33892256
Melamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2596.4Semi standard non polar33892256
Melamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1[NH]C(=N)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2692.8Standard non polar33892256
Melamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C2733.9Semi standard non polar33892256
Melamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C2760.7Standard non polar33892256
Melamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C2557.0Semi standard non polar33892256
Melamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N)N1[Si](C)(C)C(C)(C)C2728.7Standard non polar33892256
Melamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)[NH]12477.3Semi standard non polar33892256
Melamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)[NH]12647.9Standard non polar33892256
Melamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2878.3Semi standard non polar33892256
Melamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2897.9Standard non polar33892256
Melamine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2783.8Semi standard non polar33892256
Melamine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C1[NH]C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2840.8Standard non polar33892256
Melamine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3049.1Semi standard non polar33892256
Melamine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C1N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3085.5Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Melamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-3900000000-71dbc7269c93dda90b2c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Melamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-004i-9800000000-c6f386c1797fc99957342014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QTOF , positive-QTOFsplash10-004i-0900000000-a41f1e20c8ec4934d3602017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QTOF , positive-QTOFsplash10-004i-0900000000-ae6d1e3320b13071b8332017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QFT , positive-QTOFsplash10-004i-0900000000-206bb0a304c5a84400702017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QFT , positive-QTOFsplash10-004i-1900000000-7e8a77b9e84e57bd7cef2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QFT , positive-QTOFsplash10-004i-1900000000-8e0523cbbcafd9f9db922017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QFT , positive-QTOFsplash10-004i-4900000000-e45e493846516172500b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QFT , positive-QTOFsplash10-002r-9600000000-a6d255dfed4fa6c2633f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QFT , positive-QTOFsplash10-000i-9200000000-d8433e44aa15ddcbc0862017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QTOF , positive-QTOFsplash10-004i-1900000000-738eb18fe28cac9035092017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QTOF , positive-QTOFsplash10-000i-9200000000-dae6ee5dfe2d8ac93f802017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QTOF , positive-QTOFsplash10-014l-9000000000-fc1d6d3837aeaab952332017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine LC-ESI-QFT , positive-QTOFsplash10-004i-1900000000-91f26f642ce9612598a12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine 90V, Positive-QTOFsplash10-000i-9200000000-d8433e44aa15ddcbc0862021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine 75V, Positive-QTOFsplash10-002r-9600000000-a6d255dfed4fa6c2633f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine 35V, Positive-QTOFsplash10-004i-1900000000-838ef9febd7e2e0b2fea2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine 45V, Positive-QTOFsplash10-004i-1900000000-736ea73ed36f89306de12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine 30V, Positive-QTOFsplash10-004i-0900000000-2c40f1fca432608a00d32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine 30V, Positive-QTOFsplash10-004i-0900000000-00f72d1e1bb88e391cb82021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Melamine 40V, Positive-QTOFsplash10-014l-9000000000-ab81cf47f2116f7fa3242021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melamine 10V, Positive-QTOFsplash10-004i-0900000000-3e8b6a1a6fdb2209d0ea2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melamine 20V, Positive-QTOFsplash10-004i-0900000000-d113db88468963a77c182016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melamine 40V, Positive-QTOFsplash10-0006-9200000000-e1ef56b1bf95f453711f2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melamine 10V, Negative-QTOFsplash10-004i-0900000000-1bfb2f0efa2647a0552d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melamine 20V, Negative-QTOFsplash10-002f-9600000000-9cf3208803e0b283879f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Melamine 40V, Negative-QTOFsplash10-000x-9000000000-425ba1390c5b2c68ebe32016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX 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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID7667
KEGG Compound IDC08737
BioCyc IDCPD-7398
BiGG IDNot Available
Wikipedia LinkMelamine
METLIN IDNot Available
PubChem Compound7955
PDB IDNot Available
ChEBI ID27915
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1256761
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available