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 17 Reference Ions Near m/z 844.5511
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011500 Unreliable 844.543 844.543 ~ 844.543
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
0 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000046893 Unreliable 844.5598 844.5598 ~ 844.5598
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
3.2 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047008 Unreliable 844.5504 844.5504 ~ 844.5504
MzDiff: none
PA(22:1(13Z)/6 keto-PGF1alpha) (BioDeep_00000190678)
Formula: C45H81O12P (844.5465)
3.03 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047548 Unreliable 844.5442 844.5442 ~ 844.5442
MzDiff: none
Not Annotated 2.24 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051984 Unreliable 844.5549 844.5549 ~ 844.5549
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
2.36 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009746 Unavailable 844.543 844.543 ~ 844.543
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
-1.58 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000065262 Unreliable 844.5425 844.5425 ~ 844.5425
MzDiff: none
PG(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000193829)
Formula: C44H77O13P (844.5102)
1.21 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000016 Unreliable 844.543 844.543 ~ 844.543
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
2.25 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000027111 Unreliable 844.5584 844.5584 ~ 844.5584
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
1.77 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000028479 Unreliable 844.5439 844.5439 ~ 844.5439
MzDiff: none
Not Annotated 1.04 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028507 Unreliable 844.5523 844.5523 ~ 844.5523
MzDiff: none
Not Annotated 0.98 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030885 Unreliable 844.5439 844.5439 ~ 844.5439
MzDiff: none
Not Annotated 0.69 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000043937 Unreliable 844.5535 844.5535 ~ 844.5535
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
2.6 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044456 Unavailable 844.5586 844.5586 ~ 844.5586
MzDiff: none
PE(20:0/PGE2) (BioDeep_00000186838)
Formula: C45H82NO11P (843.5625)
-0.28 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061671 Unavailable 844.5429 844.5429 ~ 844.5429
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062397 Unavailable 844.5429 844.5429 ~ 844.5429
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062723 Unavailable 844.5429 844.5429 ~ 844.5429
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 12 Sample Hits
Metabolite Species Sample
PA(22:1(13Z)/6 keto-PGF1alpha)

Formula: C45H81O12P (844.5465)
Adducts: [M]+ (Ppm: 7.9)
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.

m/z_844.5538

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

m/z_844.5523

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

PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 11)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PA(22:1(13Z)/6 keto-PGF1alpha)

Formula: C45H81O12P (844.5465)
Adducts: [M]+ (Ppm: 5.2)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 2.9)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

m/z_844.5467

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PA(22:1(13Z)/6 keto-PGF1alpha)

Formula: C45H81O12P (844.5465)
Adducts: [M]+ (Ppm: 3.3)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 3)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description