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 22 Reference Ions Near m/z 784.5936
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006549 Reliable 784.5856 784.5853 ~ 784.5859
MzDiff: 2.5 ppm
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
12.89 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000006477 Reliable 784.5964 784.596 ~ 784.5966
MzDiff: 2.5 ppm
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799)
Formula: C44H67N5O5 (745.5142)
8.19 (83%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000063265 Unreliable 784.5936 784.5936 ~ 784.5936
MzDiff: none
SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215465)
Formula: C43H81N2O8P (784.573)
0.73 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000010229 Unavailable 784.5851 784.5851 ~ 784.5851
MzDiff: 0.3 ppm
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
-0.55 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000061364 Unreliable 784.5844 784.5843 ~ 784.5845
MzDiff: 0.8 ppm
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
2.04 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000011892 Unavailable 784.5851 784.5851 ~ 784.5851
MzDiff: 0.0 ppm
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
-0.15 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000022186 Unreliable 784.5921 784.5921 ~ 784.5921
MzDiff: none
SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215465)
Formula: C43H81N2O8P (784.573)
0.38 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000043697 Unreliable 784.5886 784.5886 ~ 784.5886
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
1.35 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000002544 Unreliable 784.5852 784.5852 ~ 784.5852
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
0.52 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003086 Unreliable 784.5852 784.5852 ~ 784.5852
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
2.19 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004633 Unreliable 784.5862 784.5862 ~ 784.5862
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
0.36 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000005222 Unavailable 784.5852 784.5852 ~ 784.5852
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
-0.74 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005839 Unavailable 784.5852 784.5852 ~ 784.5852
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
-0.73 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000028675 Unreliable 784.5933 784.5933 ~ 784.5933
MzDiff: none
Not Annotated 0.62 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030285 Unreliable 784.6 784.6 ~ 784.6
MzDiff: none
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799)
Formula: C44H67N5O5 (745.5142)
2 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030724 Unreliable 784.5933 784.5933 ~ 784.5933
MzDiff: none
Not Annotated 1.15 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031715 Unavailable 784.5851 784.5851 ~ 784.5851
MzDiff: none
PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018537)
Formula: C48H86NO7P (819.6142)
-0.02 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031786 Unavailable 784.5933 784.5933 ~ 784.5933
MzDiff: none
Not Annotated -0.14 (0%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044148 Unreliable 784.5839 784.5839 ~ 784.5839
MzDiff: none
PC(16:0/20:3) (BioDeep_00000029286)
Formula: C44H82NO8P (783.5778)
1.11 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061638 Unavailable 784.5951 784.5951 ~ 784.5951
MzDiff: none
SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215465)
Formula: C43H81N2O8P (784.573)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062321 Unavailable 784.5951 784.5951 ~ 784.5951
MzDiff: none
SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215465)
Formula: C43H81N2O8P (784.573)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062754 Unavailable 784.5951 784.5951 ~ 784.5951
MzDiff: none
SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215465)
Formula: C43H81N2O8P (784.573)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 8 Sample Hits
Metabolite Species Sample
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Formula: C44H67N5O5 (745.5142)
Adducts: [M+K]+ (Ppm: 19.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Formula: C44H67N5O5 (745.5142)
Adducts: [M+K]+ (Ppm: 19.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Formula: C44H67N5O5 (745.5142)
Adducts: [M+K]+ (Ppm: 19.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C43H81N2O8P (784.573)
Adducts: [M-H2O+NH4]+ (Ppm: 5.3)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H86NO7P (819.6142)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
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.

PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H86NO7P (819.6142)
Adducts: [M+H-2H2O]+ (Ppm: 13.8)
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%).

m/z_784.5933

Formula: - (n/a)
Adducts: (Ppm: 0)
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

SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C43H81N2O8P (784.573)
Adducts: [M-H2O+NH4]+ (Ppm: 3.4)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description