Ac-(5H-Dibenzyl(a,d)cycloheptene-10,11-dihydroglycine-leu-asp-ile-ile-trp)

3-({1-[(1-{[1-carboxy-2-(1H-indol-3-yl)ethyl]-C-hydroxycarbonimidoyl}-2-methylbutyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)-3-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-2-{tricyclo[9.4.0.0,]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}ethylidene}amino)-4-methylpentylidene]amino}propanoate

Formula: C52H67N7O10 (949.4949)
Chinese Name:
BioDeep ID: BioDeep_00000182130 ( View LC/MS Profile)
SMILES: CCC(C)C(NC(=O)C(NC(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C1C2=CC=CC=C2CCC2=CC=CC=C12)C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

Found 3 Sample Hits

m/z Adducts Species Organ Scanning Sample

m/z	Adducts	Species	Organ	Scanning	Sample
950.5188	[M+H]+ `PPM:17.5`	Rattus norvegicus	Epididymis	MALDI (DHB)	epik_dhb_head_ito01_04 - MTBLS58 Resolution: 17μm, 178x91 Description
950.5191	[M+H]+ `PPM:17.8`	Rattus norvegicus	normal	MALDI (DHB)	epik_dhb_head_ito01_05 - MTBLS58 Resolution: 17μm, 183x105 Description
949.5294	[M-H2O+NH4]+ `PPM:11.8`	Mus musculus	Lung	MALDI (DHB)	image3 - MTBLS2075 Resolution: 40μm, 146x190 Description Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). 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-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

950.5188

[M+H]+
PPM:17.5

Rattus norvegicus

Epididymis

MALDI (DHB)

epik_dhb_head_ito01_04 - MTBLS58

Resolution: 17μm, 178x91

Description

950.5191

[M+H]+
PPM:17.8

Rattus norvegicus

normal

MALDI (DHB)

epik_dhb_head_ito01_05 - MTBLS58

Resolution: 17μm, 183x105

Description

949.5294

[M-H2O+NH4]+
PPM:11.8

Mus musculus

Lung

MALDI (DHB)

image3 - MTBLS2075

Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). 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-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.