SDBS-Mass

MS2014-05062CW SDBS NO. 532

o-acetoxybenzoic acid
C9H8O4 (Mass of molecular ion: 180)

Compound Name:
o-acetoxybenzoic acid
acetylsalicylic acid
aspirin
acenterine
acetosal
acylpyrin
colfarit
enterosarein
2-acetoxybenzoic acid
SDBS-Mass
MS-IW-3901 SDBS NO. 3290
4'-hydroxyacetanilide
C8H9NO2 (Mass of molecular ion: 151)

Compound Name:
4'-hydroxyacetanilide
p-acetamidophenol
acetaminophen
N-(p-hydroxyphenyl)acetamide
paracetamol
SDBS No: 555 CAS Registry No.: 120-80-
9
DOI:
Molecular Formula: C6H6O2 Molecular Weight: 110.1

Compound Name:
pyrocatechol
catechol
o-dihydroxybenzene
pyrocatechin

InChI:
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey:
YCIMNLLNPGFGHC-UHFFFAOYSA-N

Publisher:
National Institute of Advanced Industrial Science and Technology (AIST)
Rights:
AIST all rights reserved
Date of Publication:
1999-03-31
SDBS No: 22007 CAS Registry No.: 490-46-
0
DOI:
Molecular Formula: C15H14O6 Molecular Weight: 290.3

Compound Name:
(-)-epicatechin
(2R-cis)-3,3',4',5,7-pentahydroxyflavan
(2R-cis)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-chromantriol
epicatechol

InChI:
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-
20H,6H2/t13-,15-/m1/s1
InChIKey:
PFTAWBLQPZVEMU-UKRRQHHQSA-N

Publisher:
National Institute of Advanced Industrial Science and Technology (AIST)
Rights:
AIST all rights reserved
Date of Publication:
1999-03-31
SDBS No: 10833 CAS Registry No.: 520-18-
3
DOI:
Molecular Formula: C15H10O6 Molecular Weight: 286.2

Compound Name:
3,4',5,7-tetrahydroxyflavone
kaempferol
3,5,7-trihydroxy-2-(p-hydroxyphenyl)-4-chromenone

InChI:
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-
18,20H
InChIKey:
IYRMWMYZSQPJKC-UHFFFAOYSA-N

Publisher:
National Institute of Advanced Industrial Science and Technology (AIST)
Rights:
AIST all rights reserved
Date of Publication:
1999-03-31
SDBS No: 2621 CAS Registry No.: 6151-25-
3
117-39-5
DOI:
Molecular Formula: C15H10O7 Molecular Weight: 302.2

Compound Name:
quercetin
3,3',4',5,7-pentahydroxyflavone
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromenone

InChI:
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-
5,16-19,21H
InChIKey:
REFJWTPEDVJJIY-UHFFFAOYSA-N

Publisher:
National Institute of Advanced Industrial Science and Technology (AIST)
Rights:
AIST all rights reserved
Date of Publication:
1999-03-31