Friday, April 13, 2007

MA0006



Jmol View

Compound Name: 2,4,6-trihydroxyacetophenone
Common Name: THAP
IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone

CAS RN: 480-66-0
SMILES: O=C(C)c1c(O)cc(O)cc1O
InChI=1/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3

Further details are being compiled on the MALDI matrix wiki at:
http://maldimatrixinfo.wikispaces.com/ma0006

Thursday, April 12, 2007

MA0005



Jmol View

Compound Name: 3-methoxy-4-hydroxycinnamic acid
Common Names: Ferulic acid, FA
IUPAC Name: (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

CAS RN: 537-98-4
SMILES: Oc1ccc(cc1OC)/C=C/C(O)=O
InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Further details are being compiled on the MALDI matrix wiki at:
http://maldimatrixinfo.wikispaces.com/ma0005

MA0004



Jmol View

Compound Name: 3,5-dimethoxy-4-hydroxycinnamic acid
Common Names: sinapinic acid, sinapic acid
IUPAC Name: (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid

CAS RN: 530-59-6
SMILES: COc1cc(cc(OC)c1O)/C=C/C(O)=O
InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+

Further details are being compiled on the MALDI matrix wiki at:
http://maldimatrixinfo.wikispaces.com/ma0004

Sunday, April 08, 2007

MA0003



Jmol View

Compound Name: Dithranol
Common Names: Dithranol
IUPAC Name: 1,8-dihydroxyanthracen-9(10H)-one

CAS RN: 1143-38-0
SMILES: Oc2cccc1Cc3cccc(O)c3C(=O)c12
InChI=1/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2)

Further details are being compiled on the MALDI matrix wiki at:
http://maldimatrixinfo.wikispaces.com/ma0003

MA0002



Jmol View

Compound Name: alpha-cyano-4-hydroxycinnamic acid
Common Names: CHCA, HCCA
IUPAC Name: (2E)-2-cyano-3-(4-hydroxyphenyl)acrylic acid

CAS RN: 28166-41-8
SMILES: Oc1ccc(/C=C(\C#N)C(O)=O)cc1
InChI=1/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+

Further details are being compiled on the MALDI matrix wiki at:
http://maldimatrixinfo.wikispaces.com/ma0002

MA0001



Jmol View

Compound Name: 2,5-dihydroxybenzoic acid
Common Names: gentisic acid, DHB
IUPAC Name: 2,5-dihydroxybenzoic acid

CAS RN: 490-79-9
SMILES: O=C(O)c1cc(O)ccc1O
InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)

Further details are being compiled on the MALDI matrix wiki at:
http://maldimatrixinfo.wikispaces.com/ma0001