Blueberry (Fruit) - Organic acids
Product Code
NIST-3287
CAS Number
13 AnalytesProduct Format
-
Matrix
Blueberry
Documentation
Certificate of Analysis
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Product Information
Analyte Name
Concentration
CAS Number
Molecular Structure
Calcium
Accurate Mass
39.963
Smiles
[Ca]
InChI
InChI=1S/Ca
IUPAC
calcium
Copper
Accurate Mass
62.9296
Smiles
[Cu]
InChI
InChI=1S/Cu
IUPAC
copper
Iron
Accurate Mass
55.9349
Smiles
[Fe]
InChI
InChI=1S/Fe
IUPAC
iron
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
Niacin (Nicotinic Acid)
Accurate Mass
123.032
Smiles
OC(=O)c1cccnc1
InChI
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
IUPAC
pyridine-3-carboxylic acid
Pantothenic acid (Vitamin B5)
CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Phosphorus
Accurate Mass
30.9738
Smiles
[P]
InChI
InChI=1S/P
IUPAC
phosphorus
Potassium
Accurate Mass
38.9637
Smiles
[K]
InChI
InChI=1S/K.H
IUPAC
potassium
Quinic Acid
Accurate Mass
192.0634
Smiles
O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)O
InChI
InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
IUPAC
(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
Thiamin
CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Vitamin B6 (Pyridoxine)
Accurate Mass
169.0739
Smiles
Cc1ncc(CO)c(CO)c1O
InChI
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
IUPAC
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Zinc
Accurate Mass
63.9291
Smiles
[Zn]
InChI
InChI=1S/Zn
IUPAC
zinc
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
-
Matrix
Blueberry