Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide

4-oxahexacyclo[11.6.2.0²,⁸.0³,⁵.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol

Formula: C20H14O3 (302.0943)
Chinese Name: 7,8-二羟基-9,10-环氧-7,8,9,10-四氢苯并[A]芘
BioDeep ID: BioDeep_00000010188 ( View LC/MS Profile)
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6C(O6)C(C5O)O)C=C2



Found 14 Sample Hits

m/z Adducts Species Organ Scanning Sample
267.0785 [M+H-2H2O]+
PPM:7.2		 Homo sapiens esophagus DESI ()
LNTO22_1_4 - MTBLS385
Resolution: 17μm, 82x80

Description

267.079 [M+H-2H2O]+
PPM:5.4		 Homo sapiens esophagus DESI ()
TO42T - MTBLS385
Resolution: 17μm, 69x81

Description

267.0785 [M+H-2H2O]+
PPM:7.2		 Homo sapiens esophagus DESI ()
TO39T - MTBLS385
Resolution: 17μm, 69x81

Description

267.0803 [M+H-2H2O]+
PPM:0.5		 Homo sapiens colorectal adenocarcinoma DESI ()
80TopL, 50TopR, 70BottomL, 60BottomR-profile - MTBLS415
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
267.0787 [M+H-2H2O]+
PPM:6.5		 Homo sapiens colorectal adenocarcinoma DESI ()
439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
267.0791 [M+H-2H2O]+
PPM:5		 Homo sapiens NA DESI ()
160TopL,130TopR,150BottomL,140BottomR-profile - MTBLS415
Resolution: 17μm, 142x136

Description

267.0792 [M+H-2H2O]+
PPM:4.6		 Homo sapiens esophagus DESI ()
LNTO29_16_3 - MTBLS385
Resolution: 17μm, 108x107

Description

267.0786 [M+H-2H2O]+
PPM:6.9		 Homo sapiens esophagus DESI ()
TO40T - MTBLS385
Resolution: 17μm, 82x74

Description

267.0798 [M+H-2H2O]+
PPM:2.4		 Homo sapiens esophagus DESI ()
TO29T - MTBLS385
Resolution: 75μm, 56x48

Description

267.0799 [M+H-2H2O]+
PPM:2		 Homo sapiens esophagus DESI ()
LNTO26_16_1 - MTBLS385
Resolution: 75μm, 95x88

Description

267.0792 [M+H-2H2O]+
PPM:4.6		 Homo sapiens esophagus DESI ()
LNTO29_18_2 - MTBLS385
Resolution: 75μm, 62x68

Description

267.0793 [M+H-2H2O]+
PPM:4.3		 Homo sapiens esophagus DESI ()
LNTO30_7_1 - MTBLS385
Resolution: 75μm, 69x68

Description

267.0796 [M+H-2H2O]+
PPM:3.1		 Homo sapiens esophagus DESI ()
LNTO30_7_2 - MTBLS385
Resolution: 75μm, 82x68

Description

267.0792 [M+H-2H2O]+
PPM:4.6		 Homo sapiens colorectal adenocarcinoma DESI ()
120TopL, 90TopR, 110BottomL, 100BottomR-centroid - MTBLS176
Resolution: 50μm, 132x136

Description


Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide, also known as BPDE or benzo(a)Pyrene diol epoxide, is classified as a member of the Pyrenes. Pyrenes are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide is considered to be practically insoluble (in water) and relatively neutral. It is a carcinogenic metabolite of benzo[a]pyrene (BaP) which forms adducts with DNA and proteins and is hydrolysed to BPDE tetrols. It is used as a marker for BaP exposure (a surrogate marker for PAHs). D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens