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 687.4426
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000018141 Reliable 687.4426 687.4425 ~ 687.4427
MzDiff: 0.6 ppm
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate (BioDeep_00002127653)
Formula: C40H66O11 (722.4605)
0.38 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000002674 Unavailable 687.4364 687.4364 ~ 687.4364
MzDiff: none
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882)
Formula: C36H63O10P (686.4159)
-0.22 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003286 Unavailable 687.4364 687.4364 ~ 687.4364
MzDiff: none
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882)
Formula: C36H63O10P (686.4159)
-0.04 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005142 Unavailable 687.4364 687.4364 ~ 687.4364
MzDiff: none
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882)
Formula: C36H63O10P (686.4159)
-0.59 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005769 Unavailable 687.4364 687.4364 ~ 687.4364
MzDiff: none
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882)
Formula: C36H63O10P (686.4159)
-0.62 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000023545 Unreliable 687.4425 687.4425 ~ 687.4425
MzDiff: none
Not Annotated 1.49 (0%) Mus musculus
[UBERON:0004263] upper arm skin
MSI_000026002 Unreliable 687.4446 687.4446 ~ 687.4446
MzDiff: none
Proctolin (BioDeep_00000182621)
Formula: C30H48N8O8 (648.3595)
1.96 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000058469 Unreliable 687.4363 687.4363 ~ 687.4363
MzDiff: none
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882)
Formula: C36H63O10P (686.4159)
1.15 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059823 Unavailable 687.4363 687.4363 ~ 687.4363
MzDiff: none
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882)
Formula: C36H63O10P (686.4159)
-0.61 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060882 Unavailable 687.4363 687.4363 ~ 687.4363
MzDiff: none
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882)
Formula: C36H63O10P (686.4159)
-0.54 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 8 Sample Hits
Metabolite Species Sample
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate

Formula: C40H66O11 (722.4605)
Adducts: [M+H-2H2O]+ (Ppm: 5.7)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate

Formula: C40H66O11 (722.4605)
Adducts: [M+H-2H2O]+ (Ppm: 6)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate

Formula: C40H66O11 (722.4605)
Adducts: [M+H-2H2O]+ (Ppm: 5.9)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Proctolin

Formula: C30H48N8O8 (648.3595)
Adducts: [M+K]+ (Ppm: 18.4)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

m/z_687.4425

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Prephytoene diphosphate

Formula: C40H68O7P2 (722.444)
Adducts: [M+H-2H2O]+ (Ppm: 11.6)
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.

Prephytoene diphosphate

Formula: C40H68O7P2 (722.444)
Adducts: [M+H-2H2O]+ (Ppm: 12.9)
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(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C36H63O10P (686.4159)
Adducts: [M+H]+ (Ppm: 19.1)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description