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 3 Reference Ions Near m/z 668.4487
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000023290 Unreliable 668.4487 668.4487 ~ 668.4487
MzDiff: none
Pepstatin (BioDeep_00000182236)
Formula: C34H63N5O9 (685.4626)
1.78 (100%) Mus musculus
[UBERON:0004263] upper arm skin
MSI_000023677 Unreliable 668.4404 668.4404 ~ 668.4404
MzDiff: none
PA(12:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000187796)
Formula: C33H63O10P (650.4159)
1.29 (100%) Mus musculus
[UBERON:0004263] upper arm skin
MSI_000044910 Unavailable 668.44 668.44 ~ 668.44
MzDiff: none
Arjunolic acid 3-glucoside (BioDeep_00000019048)
Formula: C36H58O10 (650.403)
-0.52 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 5 Sample Hits
Metabolite Species Sample
Pepstatin

Formula: C34H63N5O9 (685.4626)
Adducts: [M+H-H2O]+ (Ppm: 15.8)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PA(14:0/20:4(5Z,8Z,11Z,14Z))

Formula: C37H65O8P (668.4417)
Adducts: [M]+ (Ppm: 6.5)
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.

m/z_668.4432

Formula: - (n/a)
Adducts: (Ppm: 0)
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%).

Pepstatin

Formula: C34H63N5O9 (685.4626)
Adducts: [M+H-H2O]+ (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%).

PA(12:0/18:1(12Z)-2OH(9,10))

Formula: C33H63O10P (650.4159)
Adducts: [M+NH4]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description