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 11 Reference Ions Near m/z 824.4323
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000063278 Unreliable 824.4401 824.4401 ~ 824.4401
MzDiff: none
Oleragenoside (BioDeep_00000018911)
Formula: C42H64O16 (824.4194)
0.66 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000002669 Unavailable 824.4396 824.4396 ~ 824.4396
MzDiff: none
Oleragenoside (BioDeep_00000018911)
Formula: C42H64O16 (824.4194)
-0.17 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003373 Unavailable 824.4396 824.4396 ~ 824.4396
MzDiff: none
Oleragenoside (BioDeep_00000018911)
Formula: C42H64O16 (824.4194)
-0.3 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005164 Unavailable 824.4396 824.4396 ~ 824.4396
MzDiff: none
Oleragenoside (BioDeep_00000018911)
Formula: C42H64O16 (824.4194)
-0.64 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005478 Unreliable 824.4396 824.4396 ~ 824.4396
MzDiff: none
Oleragenoside (BioDeep_00000018911)
Formula: C42H64O16 (824.4194)
2.19 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000022442 Unreliable 824.4342 824.4342 ~ 824.4342
MzDiff: none
Vincristine (BioDeep_00000000390)
Formula: C46H56N4O10 (824.3996)
1.71 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000025718 Unreliable 824.439 824.439 ~ 824.439
MzDiff: none
Not Annotated 2.16 (0%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000025959 Unreliable 824.427 824.427 ~ 824.427
MzDiff: none
Vincristine (BioDeep_00000000390)
Formula: C46H56N4O10 (824.3996)
1.98 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000027869 Unreliable 824.4283 824.4283 ~ 824.4283
MzDiff: none
Licoricesaponin C2 (BioDeep_00000020783)
Formula: C42H62O15 (806.4089)
2.03 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027912 Unreliable 824.4378 824.4378 ~ 824.4378
MzDiff: none
Oleragenoside (BioDeep_00000018911)
Formula: C42H64O16 (824.4194)
2 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000064845 Unreliable 824.4399 824.4399 ~ 824.4399
MzDiff: none
Oleragenoside (BioDeep_00000018911)
Formula: C42H64O16 (824.4194)
2.17 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 6 Sample Hits
Metabolite Species Sample
(2s)-2-({[(3s,9s,12s,15r)-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

Formula: C45H59N7O9 (841.4374)
Adducts: [M+H-H2O]+ (Ppm: 2.2)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Vincristine

Formula: C46H56N4O10 (824.3996)
Adducts: [M-H2O+NH4]+ (Ppm: 10.8)
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

Vincristine

Formula: C46H56N4O10 (824.3996)
Adducts: [M-H2O+NH4]+ (Ppm: 13.7)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Vincristine

Formula: C46H56N4O10 (824.3996)
Adducts: [M-H2O+NH4]+ (Ppm: 5)
Mus musculus (Lung)
image3
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.

Vincristine

Formula: C46H56N4O10 (824.3996)
Adducts: [M-H2O+NH4]+ (Ppm: 11.4)
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.

Licoricesaponin C2

Formula: C42H62O15 (806.4089)
Adducts: [M+NH4]+ (Ppm: 17.4)
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%).