在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 10 Reference Ions Near m/z 744.5055
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000061348 Unreliable 744.4958 744.4957 ~ 744.4959
MzDiff: 1.0 ppm
Decanoyl-arg-val-lys-arg-chloromethylketone (BioDeep_00000172884)
Formula: C34H66ClN11O5 (743.4937)
2.19 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000022685 Unreliable 744.4959 744.4959 ~ 744.4959
MzDiff: none
Decanoyl-arg-val-lys-arg-chloromethylketone (BioDeep_00000172884)
Formula: C34H66ClN11O5 (743.4937)
1.28 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000027946 Unreliable 744.5009 744.5009 ~ 744.5009
MzDiff: none
gamma-Secretase Inhibitor II (BioDeep_00000185343)
Formula: C33H57F2N5O9 (705.4124)
1.97 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028143 Unreliable 744.4975 744.4975 ~ 744.4975
MzDiff: none
Decanoyl-arg-val-lys-arg-chloromethylketone (BioDeep_00000172884)
Formula: C34H66ClN11O5 (743.4937)
1.86 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028817 Unreliable 744.5035 744.5035 ~ 744.5035
MzDiff: none
PE(15:0/20:3(6,8,11)-OH(5)) (BioDeep_00000185872)
Formula: C40H74NO9P (743.5101)
0.31 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029456 Unreliable 744.5035 744.5035 ~ 744.5035
MzDiff: none
PE(15:0/20:3(6,8,11)-OH(5)) (BioDeep_00000185872)
Formula: C40H74NO9P (743.5101)
0.83 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029907 Unavailable 744.4975 744.4975 ~ 744.4975
MzDiff: none
Decanoyl-arg-val-lys-arg-chloromethylketone (BioDeep_00000172884)
Formula: C34H66ClN11O5 (743.4937)
-0.33 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030901 Unreliable 744.5035 744.5035 ~ 744.5035
MzDiff: none
PE(15:0/20:3(6,8,11)-OH(5)) (BioDeep_00000185872)
Formula: C40H74NO9P (743.5101)
0.63 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031015 Unreliable 744.4975 744.4975 ~ 744.4975
MzDiff: none
Decanoyl-arg-val-lys-arg-chloromethylketone (BioDeep_00000172884)
Formula: C34H66ClN11O5 (743.4937)
0.27 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000062094 Unreliable 744.4959 744.4959 ~ 744.4959
MzDiff: none
Decanoyl-arg-val-lys-arg-chloromethylketone (BioDeep_00000172884)
Formula: C34H66ClN11O5 (743.4937)
1.12 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 5 Sample Hits
Metabolite Species Sample
gamma-Secretase Inhibitor II

Formula: C33H57F2N5O9 (705.4124)
Adducts: [M+K]+ (Ppm: 12.2)
Mus musculus (Lung)
image5
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.

gamma-Secretase Inhibitor II

Formula: C33H57F2N5O9 (705.4124)
Adducts: [M+K]+ (Ppm: 12.4)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

PE(15:0/20:3(6,8,11)-OH(5))

Formula: C40H74NO9P (743.5101)
Adducts: [M+H]+ (Ppm: 18.6)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

Decanoyl-arg-val-lys-arg-chloromethylketone

Formula: C34H66ClN11O5 (743.4937)
Adducts: [M+H]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Decanoyl-arg-val-lys-arg-chloromethylketone

Formula: C34H66ClN11O5 (743.4937)
Adducts: [M+H]+ (Ppm: 6.1)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

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).