Peanut butter - Fat, fatty acids, trace elements and tocophe
Product Code
NIST-2387
CAS Number
26 AnalytesProduct Format
Matrix Material
Matrix
Peanut butter
Documentation
Certificate of Analysis
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Safety Data Sheet
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Product Information
Analyte Name
Concentration
CAS Number
Molecular Structure
Arachidic acid
Accurate Mass
312.3028
Smiles
CCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
IUPAC
icosanoic acid
Behenic Acid
Accurate Mass
340.3341
Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
IUPAC
docosanoic acid
Calcium
Accurate Mass
39.963
Smiles
[Ca]
InChI
InChI=1S/Ca
IUPAC
calcium
cis alpha-Linolenic acid (ALA)
Accurate Mass
278.2246
Smiles
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
IUPAC
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
cis-Vaccenic Acid
Accurate Mass
282.2559
Smiles
CCCCCC\C=C/CCCCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
IUPAC
(Z)-octadec-11-enoic acid
Copper
Accurate Mass
62.9296
Smiles
[Cu]
InChI
InChI=1S/Cu
IUPAC
copper
D-delta-tocopherol
Accurate Mass
402.3498
Smiles
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1
InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1
IUPAC
(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Gamma- and Beta-Tocopherol
CAS Number
-
Molecular Formula
C28 H48 O2
Molecular Weight
416.68
Accurate Mass
416.3654
Gondoic Acid
Accurate Mass
310.2872
Smiles
CCCCCCCC\C=C/CCCCCCCCCC(=O)O
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
IUPAC
(Z)-icos-11-enoic acid
Iron
Accurate Mass
55.9349
Smiles
[Fe]
InChI
InChI=1S/Fe
IUPAC
iron
Lignoceric Acid
Accurate Mass
368.3654
Smiles
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
IUPAC
tetracosanoic acid
Linoleic Acid
Accurate Mass
280.2402
Smiles
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
IUPAC
(9Z,12Z)-octadeca-9,12-dienoic acid
Magnesium
Accurate Mass
23.985
Smiles
[Mg]
InChI
InChI=1S/Mg
IUPAC
magnesium
Manganese
Accurate Mass
54.938
Smiles
[Mn]
InChI
InChI=1S/Mn
IUPAC
Manganese
Monounsaturated fatty acids
CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Myristic Acid
Accurate Mass
228.2089
Smiles
CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
IUPAC
tetradecanoic acid
Oleic Acid
Accurate Mass
282.2559
Smiles
CCCCCCCC\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
IUPAC
(Z)-octadec-9-enoic acid
Palmitic Acid
Accurate Mass
256.2402
Smiles
CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
IUPAC
hexadecanoic acid
Palmitoleic acid
Accurate Mass
254.2246
Smiles
CCCCCC\C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
IUPAC
(Z)-hexadec-9-enoic acid
Phosphorus
Accurate Mass
30.9738
Smiles
[P]
InChI
InChI=1S/P
IUPAC
phosphorus
Polyunsaturated fatty acids
CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Potassium
Accurate Mass
38.9637
Smiles
[K]
InChI
InChI=1S/K.H
IUPAC
potassium
Saturated fatty acids
CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Sodium
Accurate Mass
22.9898
Smiles
[Na]
InChI
InChI=1S/Na
IUPAC
sodium
Stearic Acid
Accurate Mass
284.2715
Smiles
CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
IUPAC
octadecanoic acid
Zinc
Accurate Mass
63.9291
Smiles
[Zn]
InChI
InChI=1S/Zn
IUPAC
zinc
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Matrix Material
Matrix
Peanut butter