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 19 Reference Ions Near m/z 839.6259
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000021173 Reliable 839.6355 839.6352 ~ 839.6359
MzDiff: 3.0 ppm
Thyroxine sulfate (BioDeep_00000027845)
Formula: C15H11I4NO7S (856.6435)
3.47 (75%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007992 Reliable 839.6355 839.6352 ~ 839.6359
MzDiff: 3.0 ppm
Thyroxine sulfate (BioDeep_00000027845)
Formula: C15H11I4NO7S (856.6435)
17.23 (60%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000008724 Unreliable 839.6236 839.6232 ~ 839.624
MzDiff: 3.4 ppm
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
4.74 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000061330 Unavailable 839.6204 839.6204 ~ 839.6205
MzDiff: 0.5 ppm
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
-1.06 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000001090 Unavailable 839.6329 839.6329 ~ 839.6329
MzDiff: none
(2s)-2-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[hydroxy(1-{2-[(1-hydroxydodecylidene)amino]-2-methylpropanoyl}pyrrolidin-2-yl)methylidene]amino}-4-methylpentylidene]amino}-3-methylbutylidene]amino}-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]pentanediimidic acid (BioDeep_00002082518)
Formula: C43H79N7O8 (821.599)
-0.38 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001783 Unavailable 839.6329 839.6329 ~ 839.6329
MzDiff: none
(2s)-2-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[hydroxy(1-{2-[(1-hydroxydodecylidene)amino]-2-methylpropanoyl}pyrrolidin-2-yl)methylidene]amino}-4-methylpentylidene]amino}-3-methylbutylidene]amino}-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]pentanediimidic acid (BioDeep_00002082518)
Formula: C43H79N7O8 (821.599)
-0.59 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002210 Unavailable 839.6329 839.6329 ~ 839.6329
MzDiff: none
(2s)-2-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[hydroxy(1-{2-[(1-hydroxydodecylidene)amino]-2-methylpropanoyl}pyrrolidin-2-yl)methylidene]amino}-4-methylpentylidene]amino}-3-methylbutylidene]amino}-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]pentanediimidic acid (BioDeep_00002082518)
Formula: C43H79N7O8 (821.599)
-0.56 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000002849 Unavailable 839.6204 839.6204 ~ 839.6204
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
-0.47 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003512 Unavailable 839.6204 839.6204 ~ 839.6204
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
-0.53 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004807 Unreliable 839.6204 839.6204 ~ 839.6204
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
1.77 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005713 Unavailable 839.6204 839.6204 ~ 839.6204
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
-0.5 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000026635 Unreliable 839.6347 839.6347 ~ 839.6347
MzDiff: none
Thyroxine sulfate (BioDeep_00000027845)
Formula: C15H11I4NO7S (856.6435)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028209 Unreliable 839.6323 839.6323 ~ 839.6323
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
1.7 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000044145 Unreliable 839.6351 839.6351 ~ 839.6351
MzDiff: none
Thyroxine sulfate (BioDeep_00000027845)
Formula: C15H11I4NO7S (856.6435)
1.14 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000050260 Unreliable 839.6267 839.6267 ~ 839.6267
MzDiff: none
PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) (BioDeep_00000030423)
Formula: C47H84NO8P (821.5934)
0.21 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050536 Unreliable 839.6267 839.6267 ~ 839.6267
MzDiff: none
PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) (BioDeep_00000030423)
Formula: C47H84NO8P (821.5934)
2.17 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000059252 Unavailable 839.6199 839.6199 ~ 839.6199
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
-0.97 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059644 Unreliable 839.6199 839.6199 ~ 839.6199
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
1.03 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060420 Unavailable 839.6199 839.6199 ~ 839.6199
MzDiff: none
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000192203)
Formula: C48H87O9P (838.6087)
-0.06 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 5 Sample Hits
Metabolite Species Sample
PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C48H87O9P (838.6087)
Adducts: [M+H]+ (Ppm: 11.8)
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

PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C48H87O9P (838.6087)
Adducts: [M+H]+ (Ppm: 18.8)
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.

PA(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C48H87O9P (838.6087)
Adducts: [M+H]+ (Ppm: 19.4)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))

Formula: C47H84NO8P (821.5934)
Adducts: [M+NH4]+ (Ppm: 0.3)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))

Formula: C47H84NO8P (821.5934)
Adducts: [M+NH4]+ (Ppm: 0.7)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell