5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate

(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl 2-(methylamino)benzoate

Formula: C30H37NO8 (539.2519)
Chinese Name:
BioDeep ID: BioDeep_00000055067 ( View LC/MS Profile)
SMILES: [H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(OC(=O)C3=CC=CC=C3NC)[C@@]1(OC(C)=O)C2(C)C

Found 2 Sample Hits

m/z Adducts Species Organ Scanning Sample

m/z	Adducts	Species	Organ	Scanning	Sample
540.2487	[M+H]+ `PPM:19.4`	Mus musculus	Lung	MALDI (DHB)	image5 - MTBLS2075 Resolution: 40μm, 163x183 Description Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079 ([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.
540.2486	[M+H]+ `PPM:19.6`	Mytilus edulis	mantle	MALDI (DHB)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960 Resolution: 10μm, 275x210 Description

540.2487

[M+H]+
PPM:19.4

Mus musculus

Lung

MALDI (DHB)

image5 - MTBLS2075

Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079 ([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

540.2486

[M+H]+
PPM:19.6

Mytilus edulis

mantle

MALDI (DHB)

20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960

Resolution: 10μm, 275x210

Description

5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate, also known as Phorbol 12-(2-methylamino)benzoate 13-acetate or CCRIS 7233, is classified as a member of the Phorbol esters. Phorbol esters are tigliane diterpenoids which are esters of phorbol. 5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate is considered to be practically insoluble (in water) and relatively neutral D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters