xtuition

Name SMILES Avg. Mass MW Density
(±)-2-Methyl-2,4-pentanediol CC(O)CC(C)(C)O 118.2 118.2 0.9
1,2,3-Heptanetriol OC(CCCC)C(O)CO 148.2 148.2 1.1
1,2-Diaminocyclohexane sulfate O=S(=O)(O)O.N[C@H]1CCCC[C… 212.3 212.3
1,3,5-Pentanetricarboxylic acid O=C(O)CCC(C(=O)O)CCC(=O)O 204.2 204.2 1.4
1,3-Propanediol C(CO)CO 76.1 76.1 1.1
1,4-Butanediol C(CCO)CO 90.1 90.1 1.0
1,4-Cyclohexanedicarboxylic acid O=C(O)C1CCC(C(=O)O)CC1 172.2 172.2 1.3
1,4-Diaminobutane C(CCN)CN 88.2 88.2 0.9
1,4-Dioxane O1CCOCC1 88.1 88.1 1.0
1,5-Naphthalenedisulfonic acid disodium salt [Na+].[Na+].[O-]S(=O)(=O)… 332.3 332.3
1,6-hexanediol OCCCCCCO 118.2 118.2 1.0
1,8-Diaminooctane C(CCCCN)CCCN 144.3 144.3 0.9
1-Pentanesulfonic acid sodium salt monohydrate [Na+].[O-]S(=O)(=O)CCCCC 174.2 174.2
2,2'-Thiodiglycolic acid O=C(O)C(O)SC(O)C(=O)O 182.2 182.2 1.9
2,5-Pyridinedicarboxylic acid O=C(O)c1ncc(C(=O)O)cc1 167.1 167.1 1.6
2,6-Naphthalenedisulfonic acid disodium salt [Na+].[Na+].[O-]S(=O)(=O)… 332.3 332.3
2,7-Naphthalenedisulfonic acid disodium salt [Na+].[Na+].[O-]S(=O)(=O)… 332.3 332.3
2-Aminobenzenesulfonic acid O=S(=O)(O)c1ccccc1N 173.2 173.2 1.5
3,5-Dinitrosalicylic acid c1c(cc(c(c1C(=O)O)O)[N+](… 228.1 228.1 1.8
3-Aminobenzenesulfonic acid O=S(=O)(O)c1cccc(N)c1 173.2 173.2 1.5
3-Aminobenzoic acid O=C(O)c1cc(N)ccc1 137.1 137.1 1.5
3-Aminosalicylic acid c1cc(c(c(c1)N)O)C(=O)O 153.1 153.1 1.5
3-Indolebutyric acid C1=CC=C2C(=C1)C(=CN2)CCCC… 203.2 203.2 1.3
4-Aminobenzoic acid O=C(O)c1ccc(N)cc1 137.1 137.1 1.4
4-Aminobutyric acid C(CC(=O)O)CN 103.1 103.1 1.1
4-Hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 152.1 152.1 1.3
4-Nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)… 167.1 167.1 1.6
5-Sulfoisophthalic acid monosodium salt [Na+].O=S([O-])(=O)c1cc(c… 268.2 268.2
5-Sulfosalicylic acid dihydrate O=C(O)c1cc(ccc1O)S(=O)(=O… 254.2 254.2
6-Aminohexanoic acid O=C(O)CCCCCN 131.2 131.2 1.0
a-Amylase missing
Adipic acid C(CCC(=O)O)CC(=O)O 146.1 146.1 1.4
Ala-Ala O=C(NC(C(=O)O)C)C(N)C 160.2 160.2 1.2
Ala-gly O=C(NCC(=O)O)C(N)C 146.1 146.1
Ammonium acetate O=C(O)C.N 77.1 77.1 1.2
Ammonium bromide [Br-].[NH4+] 97.9 97.9 2.4
Ammonium chloride [Cl-].[NH4+] 53.5 53.5 1.5
Ammonium citrate tribasic C(C(=O)O)C(CC(=O)O)(C(=O)… 243.2 243.2
ammonium dihydrogen phosphate [H+].[H+].[NH4+].[O-]P(=O… 115.0 115.0
Ammonium fluoride [F-].[NH4+] 37.0 37.0 1.0
Ammonium formate C(=O)O.N 63.1 63.1 1.3
Ammonium iodide [I-].[NH4+] 144.9 144.9 2.5
Ammonium nitrate [O-][N+]([O-])=O.[NH4+] 80.0 80.0 1.7
ammonium phosphate [NH4+].[NH4+].[NH4+].[O-]… 149.1 149.1
Ammonium phosphate dibasic [O-]P([O-])(=O)O.[NH4+].[… 132.1 132.1 1.6
Ammonium phosphate monobasic [O-]P(=O)(O)O.[NH4+] 115.0 115.0 1.8
Ammonium sulfate O=S(=O)(O)O.N.N 132.1 132.1 1.8
Ammonium tartrate dibasic O=C(O)[C@H](O)[C@@H](O)C(… 184.1 184.1
Ammonium thiocyanate [S-]C#N.[NH4+] 76.1 76.1 1.3
Anthraquinone-2,6-disulfonic acid disodium salt [Na+].[Na+].[O-]S(=O)(=O)… 412.3 412.3
Anthrone O=C2c1c(cccc1)Cc3c2cccc3 194.2 194.2 1.2
Aspartame O=C(O)C[C@H](N)C(=O)N[C@H… 294.3 294.3 1.3
Azelaic acid O=C(O)CCCCCCCC(=O)O 188.2 188.2 1.1
Barbituric acid O=C1NC(=O)NC(=O)C1 128.1 128.1 1.5
Barium chloride [Ba+2].[Cl-].[Cl-] 208.2 208.2 3.9
Benzamidine hydrochloride C1=CC=C(C=C1)C(=N)N.Cl 156.6 156.6
Benzenephosphonic acid O=P(O)(O)c1ccccc1 158.1 158.1 1.5
Benzidine c2c(c1ccc(N)cc1)ccc(N)c2 184.2 184.2 1.2
Benzoic acid c1ccc(cc1)C(=O)O 122.1 122.1 1.2
Betaine anhydrous C[N+](C)(C)CC(=O)[O-] 117.1 117.1
Bicine O=C(O)CN(CCO)CCO 163.2 163.2 1.3
Bis-Tris OCCN(C(CO)(CO)CO)CCO 209.2 209.2 1.3
Bis-Tris Propane OCC(NCCCNC(CO)(CO)CO)(CO)… 282.3 282.3 1.3
Cadaverine NCCCCCN 102.2 102.2 0.9
Cadmium chloride dihydrate [Cd+2].[Cl-].O.O 183.9 183.9
Cadmium sulfate octahydrate [Cd+2].[O-]S([O-])(=O)=O.… 352.6 352.6 3.1
Caffeine CN1C=NC2=C1C(=O)N(C(=O)N2… 194.2 194.2 1.5
Calcium acetate [Ca+2].[O-]C(=O)C.[O-]C(=… 158.2 158.2 1.5
Calcium acetate hydrate [Ca+2].O.[O-]C(C)=O 117.1 117.1
calcium chloride [Cl-].[Cl-].[Ca+2] 111.0 111.0
Calcium chloride dihydrate [Ca+2].[Cl-].[Cl-].O.O 147.0 147.0 0.8
CAPS O=S(=O)(O)CCCNC1CCCCC1 221.3 221.3 1.2
Casein C1COC2=C(O1)C=CC(=C2)C3=C… 398.4 398.4
Cesium chloride [Cs+].[Cl-] 168.4 168.4 4.0
CHAPS [O-]S(=O)(=O)CCC[N+](C)(C… 614.9 614.9
Citric acid C(C(=O)O)C(CC(=O)O)(C(=O)… 192.1 192.1 1.7
Cobalt (II) sulfate heptahydrate [Co+2].[O-]S([O-])(=O)=O.… 281.1 281.1 2.0
cobalt chloride O.O.O.O.O.O.[Cl-].[Cl-].[… 237.9 225.8
Cobalt(II) chloride hexahydrate [Co+2].[Cl-].O.O.O.O.O.O 202.5 202.5
Congo Red [Na+].[Na+].[O-]S(=O)(=O)… 696.7 696.7
Copper(II) chloride dihydrate [Cu+2].[Cl-].[Cl-].O.O 170.5 170.5 2.5
Cystamine dihydrochloride Cl.Cl.S(SCCN)CCN 225.2 225.2
Cystathionine O=C(O)C(N)CSCCC(C(=O)O)N 222.3 222.3 1.4
Cytosine O=C(O)C(N)CSCC[C@@H](C(=O… 222.3 222.3 1.4
D-(+)-Cellobiose O([C@H]1[C@H](O)[C@@H](O)… 342.3 342.3 1.8
D-(+)-Maltose monohydrate O([C@H]1[C@H](O)[C@@H](O)… 342.3 342.3 1.8
D-(+)-Maltotriose O([C@H]1[C@H](O)[C@@H](O)… 504.4 504.4 1.8
D-(+)-Melezitose hydrate O1[C@H](CO)[C@@H](O)[C@H]… 504.4 504.4
D-(+)-Melibiose monohydrate O(C[C@H]1OC(O)[C@H](O)[C@… 342.3 342.3 1.8
D-(+)-Raffinose pentahydrate O2[C@H](CO[C@H]1O[C@H](CO… 594.5 594.5
D-(+)-Trehalose dihydrate C([C@@H]1[C@H]([C@@H]([C@… 342.3 342.3 1.8
D-3-Phosphoglyceric acid disodium salt [Na+].[Na+].[O-]P(=O)(OC[… 230.0 230.0
D-Fructose 1,6-diphosphate trisodium salt octahydrate [H+].[Na+].[Na+].[Na+].[O… 550.2 550.2
D-Glucose 6-phosphate C([C@@H]1[C@H]([C@@H]([C@… 260.1 260.1 2.0
D-Sorbitol O[C@H]([C@@H](O)CO)[C@H](… 182.2 182.2 1.6
Deoxyribonuclease I CC[C@H](C)[C@@H](C(=O)O)N 131.2 131.2
Deoxyribonucleic acid c1ccc2c(c1)C(=O)OC23c4ccc… 332.3 332.3 1.6
Dextran sulfate sodium salt [Na+].[O-]C(=O)CCCCCCC(O)… 345.4 345.4
Dextranase missing
di-Ammonium hydrogen citrate O=C([O-])CC(O)(C(=O)O)CC(… 226.2 226.2
di-Ammonium Tartrate O=C([O-])C(O)C(O)C([O-])=… 184.1 184.1
di-sodium hydrogen phosphate dihydrate [Na+].[Na+].[O-]P([O-])(=… 178.0 178.0
di-sodium tartrate dihydrate [Na+].[Na+].O=C([O-])C(O)… 230.1 230.1
diammonium hydrogen phosphate [NH4+].[NH4+].OP(=O)([O-]… 132.1 132.1
Diethylenetriaminepentakis(methylphosphonic acid) O=P(O)(O)CN(CP(=O)(O)O)CC… 573.2 573.2 1.9
Diloxanide furoate O=C(Oc1ccc(N(C(=O)C(Cl)Cl… 328.1 328.1 1.4
Dithioerythritol SCC(O)C(O)CS 154.3 154.3 1.3
DL-Malic acid O=C(O)CC(O)C(=O)O 134.1 134.1 1.6
Dodecanedioic acid O=C(O)CCCCCCCCCCC(=O)O 230.3 230.3 1.1
Ethanol CCO 46.1 46.1 0.8
Ethylene Glycol C(CO)O 62.1 62.1 1.1
Ethylene imine polymer CCC(=O)OC1(CC(N(C1C)C)C)C… 261.4 1.1
Ferric chloride hexahydrate O.O.O.O.O.O.[Cl-].[Cl-].[… 270.3 270.3
Fumaric acid C(=C/C(=O)O)\C(=O)O 116.1 116.1 1.5
Gadolinium(III) chloride hexahydrate [Gd+3].[Cl-].O.O.O.O.O.O 300.8 300.8
Gallic acid O=C(O)c1cc(O)c(O)c(O)c1 170.1 170.1 1.7
Glutaric acid C(CC(=O)O)CC(=O)O 132.1 132.1 1.3
Gly-asp O=C(NC(C(=O)O)CC(=O)O)CN 190.2 190.2 1.5
Gly-gly O=C(NCC(=O)O)CN 132.1 132.1 1.3
Gly-gly-gly O=C(NCC(=O)O)CNC(=O)CN 189.2 189.2 1.4
Gly-gly-gly-gly O=C(NCC(=O)O)CNC(=O)CNC(=… 246.2 246.2 1.4
Gly-phe c1ccc(cc1)CC(C(=O)O)NC(=O… 222.2 222.2 1.3
Gly-ser O=C(O)C(NC(=O)CN)CO 162.1 162.1 1.4
Gly-tyr O=C(O)[C@@H](NC(=O)CN)Cc1… 238.2 238.2 1.4
Glycerol anhydrous C(C(CO)O)O 92.1 92.1 1.3
Glycerol phosphate disodium salt hydrate [Na+].[Na+].[O-]P([O-])(=… 216.0 216.0
Glycine C(C(=O)O)N 75.1 75.1 1.3
Guanidine hydrochloride C(=N)(N)N.Cl 95.5 95.5
Hemoglobin O=C(N[C@H](C(=O)O)CC(C)C)… 1450.7 1450.7
HEPES [O-]S(=O)(=O)CCN1CC[NH+](… 238.3 238.3 1.3
HEPES-Na OCCN1CCN(CC1)CCS(=O)(=O)O… 260.3 260.3
Hexadecanedioic acid O=C(O)CCCCCCCCCCCCCCC(=O)… 286.4 286.4 1.0
Hexadecyltrimethylammonium bromide CCCCCCCCCCCCCCCC[N+](C)(C… 364.4 364.4
Hexamminecobalt(III) Chloride [Cl-].[Cl-].[Cl-].[Co+3].… 267.5 267.5
Hippuric acid c1ccc(cc1)C(=O)NCC(=O)O 179.2 179.2 1.3
Imidazole c1cnc[nH]1 68.1 68.1 1.1
Iso-propanol CC(C)O 60.1 60.1 0.8
Jeffamine ED-2001 reagent CCCOC1=C(C=CC(=C1)C2=CC(=… 2000.0 1.1
Jeffamine M-600 reagent C1=CC(=CC=C1N=C(N)N=C(N)N… 600.0 1.0
L-(+)-Lysine C(CCN)C[C@@H](C(=O)O)N 146.2 146.2 1.1
L-(-)-Threonine C[C@H]([C@@H](C(=O)O)N)O 119.1 119.1 1.3
L-Alanine C[C@@H](C(=O)O)N 89.1 89.1 1.2
L-Arginine C(C[C@@H](C(=O)O)N)CN=C(N… 174.2 174.2 1.5
L-Asparagine monohydrate O=C(N)C[C@H](N)C(=O)O.O 150.1 150.1
L-Aspartic acid C([C@@H](C(=O)O)N)C(=O)O 133.1 133.1 1.5
L-Canavanine O=C(O)[C@@H](N)CCO\N=C(/N… 176.2 176.2 1.6
L-Carnitine hydrochloride [Cl-].O=C(O)CC(O)C[N+](C)… 197.7 197.7
L-Citrulline O=C(O)[C@@H](N)CCCNC(=O)N 175.2 175.2 1.3
L-Cystine O=C(O)[C@@H](N)CSSC[C@@H]… 240.3 240.3 1.6
L-Glutamic acid C(CC(=O)O)[C@@H](C(=O)O)N 147.1 147.1 1.4
L-Glutamine O=C(N)CC[C@H](N)C(=O)O 146.1 146.1 1.3
L-Histidine C1=C(N=CN1)C[C@@H](C(=O)O… 155.2 155.2 1.4
L-Isoleucine CC[C@H](C)[C@@H](C(=O)O)N 131.2 131.2 1.0
L-Leucine CC(C)C[C@@H](C(=O)O)N 131.2 131.2 1.0
L-Methionine O=C(O)[C@@H](N)CCSC 149.2 149.2 1.2
L-O-Phosphoserine O=P(O)(O)OC[C@@H](C(=O)O)… 185.1 185.1 1.8
L-Ornithine hydrochloride Cl.O=C(O)[C@@H](N)CCCN 168.6 168.6
L-Phenylalanine c1ccc(cc1)C[C@@H](C(=O)O)… 165.2 165.2 1.2
L-Proline C1C[C@H](NC1)C(=O)O 115.1 115.1 1.2
L-Serine C([C@@H](C(=O)O)N)O 105.1 105.1 1.4
L-seryl-L-glutamic acid O=C(NC(C(=O)O)CCC(=O)O)C(… 234.2 234.2 1.5
L-Tryptophan c1ccc2c(c1)c(c[nH]2)C[C@@… 204.2 204.2 1.4
L-Tyrosine c1cc(ccc1C[C@@H](C(=O)O)N… 181.2 181.2 1.3
L-Valine CC(C)[C@@H](C(=O)O)N 117.1 117.1 1.1
Leu-gly-gly O=C(NCC(=O)O)CNC(=O)C(N)C… 245.3 245.3 1.2
Lithium acetate dihydrate [Li+].[O-]C(=O)C.O.O 102.0 102.0
Lithium bromide [Li+].[Br-] 86.8 86.8 3.5
Lithium chloride [Li+].[Cl-] 42.4 42.4
Lithium nitrate [Li+].[O-][N+]([O-])=O 68.9 68.9
Lithium sulfate monohydrate [Li+].[Li+].[O-]S([O-])(=… 109.9 109.9
m-Benzenedisulfonic acid disodium salt [Na+].[Na+].O=S([O-])(=O)… 282.2 282.2
Magnesium acetate tetrahydrate [Mg+2].[O-]C(=O)C.[O-]C(=… 214.5 214.5
magnesium chloride [Mg+2].[Cl-].[Cl-] 95.2 95.2
Magnesium chloride hexahydrate [Mg+2].[Cl-].[Cl-].O.O.O.… 203.3 203.3
Magnesium formate dihydrate [Mg+2].[O-]C=O.[O-]C=O 114.3 114.3
Magnesium nitrate hexahydrate [Mg+2].[O-][N+]([O-])=O.[… 256.4 256.4
Magnesium sulfate heptahydrate [Mg+2].[O-]S([O-])(=O)=O.… 246.5 246.5
Maleic acid O=C(O)\C=C/C(=O)O 116.1 116.1
Malonic acid C(C(=O)O)C(=O)O 104.1 104.1
manganese chloride [Cl-].[Cl-].[Mn+2] 125.8 125.8
Manganese chloride tetrahydrate [Mn+2].[Cl-].[Cl-].O.O.O.… 197.9 197.9
Manganese sulfate monohydrate [Mn+2].[O-]S([O-])(=O)=O.… 169.0 169.0
Manganese(II) chloride tetrahydrate [Mn+2].[Cl-].[Cl-].O.O.O.… 197.9 197.9
Melatonin CC(=O)NCCc1c[nH]c2c1cc(cc… 232.3 232.3 1.2
Mellitic acid O=C(O)c1c(c(c(c(c1C(=O)O)… 342.2 342.2 2.1
MES hydrate O=S(=O)(O)CCN1CCOCC1 195.2 195.2
MES monohydrate O=S(=O)(O)CCN1CCOCC1 195.2 195.2
Methylenediphosphonic acid O=P(O)(O)CP(=O)(O)O 176.0 176.0
MOPS O=S(=O)(O)CCCN1CCOCC1 209.3 209.3 1.3
MPD CC(O)CC(C)(C)O 118.2 118.2 0.9
myo-Inositol [C@@H]1([C@@H]([C@@H]([C@… 180.2 180.2 2.0
N-(2-Acetamido)-2-aminoethanesulfonic acid O=S(=O)(O)CCNCC(=O)N 182.2 182.2 1.5
N-(2-carboxyethyl)-iminodiacetic acid O=C(O)CCN(CC(=O)O)CC(=O)O 205.2 205.2 1.5
Naphthalene-1,3,6-trisulfonic acid trisodium salt hydrate [Na+].[Na+].[Na+].[O-]S(=… 434.3 434.3
Nickel(II) chloride hexahydrate [Ni+2].[Cl-].[Cl-].O.O.O.… 237.7 237.7
Nicotinamide c1cc(cnc1)C(=O)N 122.1 122.1 1.2
O-Phospho-L-tyrosine O=P(Oc1ccc(cc1)C[C@@H](C(… 261.2 261.2 1.6
o-Sulfobenzoic acid monoammonium salt O=S([O-])(=O)c1ccccc1C(=O… 219.2 219.2
Ovalbumin O=C(O)[C@@H](NC(=O)[C@@H]… 963.1 963.1
Oxalacetic acid O=C(O)C(=O)CC(=O)O 132.1 132.1 1.6
Oxalic acid anhydrous C(=O)(C(=O)O)O 90.0 90.0 1.8
Oxamic acid O=C(N)C(=O)O 89.0 89.1
p-Coumaric acid c1cc(ccc1/C=C/C(=O)O)O 164.2 164.2 1.3
PEG 1000 C(CO)OC(CO)OC(CO)OC(CO)OC… 150.2 1000.0
PEG 10000 C(CO)OC(CO)OC(CO)OC(CO)OC… 150.2 10000.0
PEG 12000 C(CO)OC(CO)OC(CO)OC(CO)OC… 150.2 12000.0
PEG 1500 C(CO)OC(CO)OC(CO)OC(CO)OC… 296.4 1500.0
PEG 200 C(CO)OC(CO)OC(CO)O 150.2 200.0
PEG 20000 C(CO)OC(CO)OC(CO)OC(CO)OC… 150.2 20000.0
PEG 3350 C(CO)OC(CO)OC(CO)OC(CO)OC… 150.2 3350.0
PEG 400 C(CO)OC(CO)OC(CO)OC(CO)OC… 150.2 400.0 1.1
PEG 4000 C(CO)OC(CO)OC(CO)OC(CO)OC… 150.2 4000.0
PEG 6000 C(CO)OC(CO)OC(CO)OC(CO)OC… 117.2 6000.0
PEG 8000 C(CO)OC(CO)OC(CO)OC(CO)OC… 1221.5 8000.0
PEG MME 2000 COCCOCOCCOCOCCOCOCCOCOCCO… 100.1 2000.0
PEG MME 5000 COCCOCOCCOCOCCOCOCCOCOCCO… 100.1 5000.0
PEG MME 550 COCCOCOCCOCOCCOCOCCOCOCCO… 100.1 550.0 1.1
Pentaerythritol ethoxylate (15/4 EO/OH) C(C(CO)(CO)CO)O 797.0 1.2
Pentaerythritol propoxylate (5/4 PO/OH) C=CCC12CCOS(=O)(=O)NC1C3=… 426.0 1.1
Pentaglycine O=C(NCC(=O)O)CNC(=O)CNC(=… 303.3 303.3 1.4
Pepsin O=C(N[C@H](C(=O)N[C@H](C(… 643.8 643.8
Phenol c1ccc(cc1)O 94.1 94.1 1.1
Phenylglyoxal monohydrate O.O=C(C=O)c1ccccc1 152.1 152.1
Phenylurea O=C(Nc1ccccc1)N 136.2 136.2 1.2
Phloroglucinol c1c(cc(cc1O)O)O 126.1 126.1 1.5
Phytic acid sodium salt hydrate [Na+].[Na+].[Na+].[Na+].[… 923.8 923.8
Pimelic acid O=C(O)CCCCCC(=O)O 160.2 160.2 1.2
PIPES O=S(=O)(O)CCN1CCN(CCS(=O)… 302.4 302.4 1.5
Poly(3-hydroxybutyric acid) O=C(O)CC(O)CC.O=C(O)CC(O)… 222.2 222.2
Poly(acrylic acid sodium salt) 5,100 [Na+].[O-]C(=O)CCCCCCC(O)… 345.4 345.4
Polypropylene glycol P 400 CC(CO)O 76.1 76.1 1.0
Polyvinylpyrrolidone K 15 C=CN1CCCC1=O 111.1 111.1
Potassium acetate CC(=O)[O-].[K+] 98.1 98.1
Potassium bromide [K+].[Br-] 119.0 119.0
Potassium carbonate C(=O)([O-])[O-].[K+].[K+] 138.2 138.2 2.3
Potassium chloride [Cl-].[K+] 74.6 74.6
Potassium fluoride [F-].[K+] 58.1 58.1
Potassium formate [K+].[O-]C=O 84.1 84.1
Potassium iodide [K+].[I-] 166.0 166.0
Potassium nitrate [K+].[O-][N+]([O-])=O 101.1 101.1
Potassium phosphate dibasic anhydrous [K+].[K+].[O-]P([O-])(=O)… 174.2 174.2 2.4
Potassium phosphate dibasic trihydrate [K+].O.O.O.[K+].[O-]P([O-… 228.2 228.2 2.3
Potassium phosphate monobasic [K+].[O-]P(=O)(O)O 136.1 136.1 2.3
Potassium phosphate tribasic [K+].[K+].[K+].[O-]P([O-]… 212.3 212.3 2.6
Potassium phosphate tribasic monohydrate [K+].[K+].[K+].O.[O-]P([O… 230.3 230.3 2.6
Potassium sodium tartrate tetrahydrate [K+].[Na+].O=C([O-])[C@H]… 210.2 210.2
Potassium sulfate [K+].[K+].[O-]S([O-])(=O)… 174.3 174.3
Potassium thiocyanate C(#N)[S-].[K+] 97.2 97.2
Protamine sulfate [K+].[K+].[O-]S([O-])(=O)… 174.3 174.3
Protease O=C6c3c4C=2Nc7c(O)cc(N1CC… 941.1 941.1
Proteinase K CC(C)CC(C(=O)NC(CC(=O)N)C… 1014.2 1014.2
Pyromellitic acid O=C(O)c1cc(c(cc1C(=O)O)C(… 254.2 254.2 1.8
Resorcinol c1cc(cc(c1)O)O 110.1 110.1 1.3
Rhenium(IV) oxide O=[Re]=O 218.2 218.2
Ribonuclease A CC(C(=O)O)N 89.1 89.1
Ribonucleic acid missing
Rubidium chloride [Rb+].[Cl-] 120.9 120.9 2.8
Salicin c1ccc(c(c1)CO)O[C@H]2[C@@… 286.3 286.3 1.5
Salicylamide O=C(c1ccccc1O)N 137.1 137.1 1.3
Salicylic acid c1ccc(c(c1)C(=O)O)O 138.1 138.1 1.4
Samarium(III) chloride hexahydrate Cl[Sm](Cl)Cl.O.O.O.O.O.O 364.8 364.8
Sarcosine O=C(O)CNC 89.1 89.1 1.1
Sebacic acid O=C(O)CCCCCCCCC(=O)O 202.2 202.2 1.1
Ser-tyr O=C(O)C(NC(=O)C(N)CO)Cc1c… 268.3 268.3 1.4
Sodium 4-aminosalicylate dihydrate [Na+].O=C([O-])c1ccc(cc1O… 175.1 175.1
Sodium acetate trihydrate [Na+].[O-]C(=O)C.O.O.O 136.1 136.1
Sodium azide [N-]=[N+]=[N-].[Na+] 65.0 67.0 1.9
Sodium bromide [Na+].[Br-] 102.9 102.9
Sodium cacodylate trihydrate [Na+].O.O.O.[O-][As](C)(C… 214.0 214.0
Sodium chloride [Na+].[Cl-] 58.4 58.4
Sodium citrate tribasic dihydrate [Na+].[Na+].[Na+].O=C([O-… 294.1 294.1
Sodium fluoride [F-].[Na+] 42.0 42.0
Sodium formate [Na+].[O-]C=O 68.0 68.0
Sodium iodide [Na+].[I-] 149.9 149.9
Sodium Malonate [Na+].[Na+].[O-]C(=O)CC([… 148.0 148.0
Sodium molybdate dihydrate [Na+].[O-]C(=O)CCCCCCC(O)… 345.4 345.4
Sodium nitrate [Na+].[O-][N+]([O-])=O 85.0 85.0
Sodium phosphate monobasic [Na+].[O-]P(=O)(O)O 120.0 120.0
Sodium phosphate monobasic monohydrate [Na+].[O-]P(=O)(O)O.O 138.0 138.0
Sodium pyrophosphate tetrabasic decahydrate [Na+].[Na+].[Na+].[Na+].[… 446.1 446.1
Sodium Succinate [Na+].[Na+].[O-]C(=O)CCC(… 270.1 270.1
Sodium sulfate decahydrate O.O.O.O.[Na+].O.O.O.O.O.O… 299.2 299.2
Sodium tetraborate decahydrate [Na+].[Na+].[O-]B1OB2OB([… 381.4 381.4
Sodium thiocyanate [Na+].[S-]C#N 81.1 81.1
Sodium thiosulfate pentahydrate [Na+].[Na+].[O-]S([O-])(=… 248.2 248.2 1.7
Sodium triphosphate pentabasic [Na+].[Na+].[Na+].[Na+].[… 367.9 367.9
Spermidine C(CCNCCCN)CN 145.2 145.2 0.9
Spermine C(CCNCCCN)CNCCCN 202.3 202.3 0.9
Spermine tetrahydrochloride Cl.Cl.Cl.Cl.NCCCNCCCCNCCC… 348.2 348.2 0.9
Stachyose hydrate O3[C@H](CO[C@H]2O[C@H](CO… 666.6 666.6 1.8
Strontium chloride [Sr+2].[Cl-].[Cl-] 158.5 158.5
Suberic acid O=C(O)CCCCCCC(=O)O 174.2 174.2 1.2
Succinic Acid C(CC(=O)O)C(=O)O 118.1 118.1
Sulfaguanidine O=S(=O)(/N=C(\N)N)c1ccc(N… 214.2 214.2 1.6
Sulfanilamide O=S(=O)(c1ccc(N)cc1)N 172.2 172.2 1.4
Sulfanilic acid O=S(=O)(O)c1ccc(N)cc1 173.2 173.2
Tacsimate missing
TAPS O=S(=O)(O)CCCNC(CO)(CO)CO 243.3 243.3 1.5
Taurine O=S(=O)(O)CCN 125.1 125.1 1.5
Terephthalic acid c1cc(ccc1C(=O)O)C(=O)O 166.1 166.1 1.5
tert-Butanol CC(C)(C)O 74.1 74.1 0.8
Tetrahydroxy-1,4-benzoquinone hydrate O=C1C(/O)=C(/O)C(=O)C(\O)… 172.1 172.1
trans-1,2-Cyclohexanedicarboxylic acid C1CCC(C(C1)C(=O)O)C(=O)O 172.2 172.2 1.3
trans-Aconitic acid O=C(O)\C(=C\C(=O)O)CC(=O)… 174.1 174.1 1.7
trans-Cinnamic acid O=C(O)\C=C\c1ccccc1 148.2 148.2 1.2
tri-Ammonium Citrate O=C([O-])CC(O)(C([O-])=O)… 243.2 243.2
tri-lithium citrate tetrahydrate [Li+].[Li+].[Li+].O=C([O-… 282.0 282.0
tri-potassium citrate monohydrate [K+].[K+].[K+].O=C([O-])C… 320.4 320.4
Trimellitic acid c1cc(c(cc1C(=O)O)C(=O)O)C… 210.1 210.1 1.7
Trimesic acid c1c(cc(cc1C(=O)O)C(=O)O)C… 210.1 210.1 1.7
Trimethylamine N-oxide dihydrate [O-][N+](C)(C)C.O.O 111.1 111.1
Tris OCC(N)(CO)CO 121.1 121.1 1.3
Tris HCl Cl.OCC(N)(CO)CO 157.6 157.6
Trypsin O2C(OCC1(CC/C=C\C1)C2)c3o… 220.3 220.3
Tryptone missing
Tyr-ala O=C(O)C(NC(=O)C(N)Cc1ccc(… 252.3 252.3 1.3
Tyr-phe O=C(O)C(NC(=O)C(N)Cc1ccc(… 328.4 328.4 1.3
Urea C(=O)(N)N 60.1 60.1 1.2
Vanillic acid COc1cc(ccc1O)C(=O)O 168.1 168.1 1.4
Zinc acetate dihydrate [Zn+2].[O-]C(=O)C.[O-]C(=… 219.5 219.5 1.8
Zinc chloride Cl[Zn]Cl 136.3 136.3
Zinc sulfate heptahydrate [Zn+2].[O-]S([O-])(=O)=O.… 287.6 287.6
β-Alanine O=C(O)CCN 89.1 89.1 1.2
β-Cyclodextrin C([C@@H]1[C@@H]2[C@@H]([C… 1135.0 1135.0 1.6