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 415.2702
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017286 Reliable 415.2727 415.2726 ~ 415.2728
MzDiff: 0.8 ppm
(2r,3r,4s,5r)-4-(acetyloxy)-2-{[(3r)-3,7-dimethyloct-6-en-1-yl]oxy}-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate (BioDeep_00002076056)
Formula: C22H38O7 (414.2617)
3.36 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000054945 Unreliable 415.2721 415.2721 ~ 415.2721
MzDiff: none
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine (BioDeep_00000179358)
Formula: C28H34N2O (414.2671)
1.61 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000016593 Unreliable 415.2727 415.2726 ~ 415.2728
MzDiff: 0.8 ppm
(2r,3r,4s,5r)-4-(acetyloxy)-2-{[(3r)-3,7-dimethyloct-6-en-1-yl]oxy}-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate (BioDeep_00002076056)
Formula: C22H38O7 (414.2617)
0.45 (100%) Vitis vinifera
[PO:0009086] endocarp

Found 6 Sample Hits
Metabolite Species Sample
(2r,3r,4s,5r)-4-(acetyloxy)-2-{[(3r)-3,7-dimethyloct-6-en-1-yl]oxy}-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate

Formula: C22H38O7 (414.2617)
Adducts: [M+H]+ (Ppm: 9.1)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

(2r,3r,4s,5r)-4-(acetyloxy)-2-{[(3r)-3,7-dimethyloct-6-en-1-yl]oxy}-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate

Formula: C22H38O7 (414.2617)
Adducts: [M+H]+ (Ppm: 8.6)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(2r,3r,4s,5r)-4-(acetyloxy)-2-{[(3r)-3,7-dimethyloct-6-en-1-yl]oxy}-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate

Formula: C22H38O7 (414.2617)
Adducts: [M+H]+ (Ppm: 8.9)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine

Formula: C28H34N2O (414.2671)
Adducts: [M+H]+ (Ppm: 5.5)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine

Formula: C28H34N2O (414.2671)
Adducts: [M+H]+ (Ppm: 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%).

1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine

Formula: C28H34N2O (414.2671)
Adducts: [M+H]+ (Ppm: 10.1)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description