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 13 Reference Ions Near m/z 827.4392
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000061099 Reliable 827.4308 827.4304 ~ 827.4309
MzDiff: 2.2 ppm
Phytolaccoside E (BioDeep_00000020150)
Formula: C42H66O16 (826.4351)
4.03 (9%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000061274 Reliable 827.4398 827.4398 ~ 827.4399
MzDiff: 0.7 ppm
Phytolaccoside E (BioDeep_00000020150)
Formula: C42H66O16 (826.4351)
0.72 (91%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000058490 Unreliable 827.4396 827.4392 ~ 827.4398
MzDiff: 2.5 ppm
Okadaic acid (BioDeep_00000004800)
Formula: C44H68O13 (804.466)
2.7 (33%) Mus musculus
[UBERON:0001950] neocortex
MSI_000058534 Unreliable 827.4305 827.4304 ~ 827.4308
MzDiff: 2.0 ppm
Phytolaccoside E (BioDeep_00000020150)
Formula: C42H66O16 (826.4351)
2.77 (67%) Mus musculus
[UBERON:0001950] neocortex
MSI_000022733 Unreliable 827.4387 827.4387 ~ 827.4387
MzDiff: none
Phytolaccoside E (BioDeep_00000020150)
Formula: C42H66O16 (826.4351)
1.17 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000025227 Unreliable 827.4455 827.4455 ~ 827.4455
MzDiff: none
Not Annotated 1.69 (0%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000025961 Unreliable 827.435 827.435 ~ 827.435
MzDiff: none
31-Hydroxy rifabutin (BioDeep_00000054234)
Formula: C46H62N4O12 (862.4364)
1.98 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000027715 Unreliable 827.446 827.446 ~ 827.446
MzDiff: none
Phytolaccoside E (BioDeep_00000020150)
Formula: C42H66O16 (826.4351)
2.04 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027788 Unreliable 827.4369 827.4369 ~ 827.4369
MzDiff: none
PGP(16:1(9Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000197438)
Formula: C42H72O14P2 (862.4397)
2.04 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000059845 Unavailable 827.4392 827.4392 ~ 827.4392
MzDiff: none
Okadaic acid (BioDeep_00000004800)
Formula: C44H68O13 (804.466)
-0.64 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000059894 Unavailable 827.4304 827.4304 ~ 827.4304
MzDiff: none
Phytolaccoside E (BioDeep_00000020150)
Formula: C42H66O16 (826.4351)
-0.68 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060752 Unavailable 827.4304 827.4304 ~ 827.4304
MzDiff: none
Phytolaccoside E (BioDeep_00000020150)
Formula: C42H66O16 (826.4351)
-0.47 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000060838 Unavailable 827.4392 827.4392 ~ 827.4392
MzDiff: none
Okadaic acid (BioDeep_00000004800)
Formula: C44H68O13 (804.466)
-0.51 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 8 Sample Hits
Metabolite Species Sample
Phytolaccoside E

Formula: C42H66O16 (826.4351)
Adducts: [M+H]+ (Ppm: 1.4)
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

Phytolaccoside E

Formula: C42H66O16 (826.4351)
Adducts: [M+H]+ (Ppm: 4.4)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PGP(16:1(9Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C42H72O14P2 (862.4397)
Adducts: [M+H-2H2O]+ (Ppm: 13.4)
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%).

Okadaic acid

Formula: C44H68O13 (804.466)
Adducts: [M+Na]+ (Ppm: 19.3)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

PGP(a-13:0/20:3(6,8,11)-OH(5))

Formula: C39H72O14P2 (826.4397)
Adducts: [M+H]+ (Ppm: 8.7)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

Phytolaccoside E

Formula: C42H66O16 (826.4351)
Adducts: [M+H]+ (Ppm: 3.1)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description

Phytolaccoside E

Formula: C42H66O16 (826.4351)
Adducts: [M+H]+ (Ppm: 2.9)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description

Phytolaccoside E

Formula: C42H66O16 (826.4351)
Adducts: [M+H]+ (Ppm: 3.1)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description