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 18 Reference Ions Near m/z 768.5626
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006949 Reliable 768.5625 768.5622 ~ 768.5627
MzDiff: 2.3 ppm
SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215361)
Formula: C42H77N2O8P (768.5417)
8.1 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000043273 Reliable 768.5574 768.5573 ~ 768.5576
MzDiff: 1.3 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
10.76 (79%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043122 Reliable 768.5575 768.5573 ~ 768.5576
MzDiff: 1.3 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
6.94 (90%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057864 Reliable 768.5558 768.5555 ~ 768.5559
MzDiff: 1.8 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
11.03 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065112 Reliable 768.5556 768.5552 ~ 768.5559
MzDiff: 2.9 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
6.31 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000046975 Unreliable 768.5554 768.5554 ~ 768.5554
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
3.07 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047021 Unreliable 768.5626 768.5626 ~ 768.5626
MzDiff: none
PG(16:0/18:0) (BioDeep_00000019281)
Formula: C40H79O10P (750.5411)
2.99 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047183 Unreliable 768.5697 768.5697 ~ 768.5697
MzDiff: none
Not Annotated 2.62 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051730 Unreliable 768.5585 768.5585 ~ 768.5585
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
2.52 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051978 Unreliable 768.5657 768.5657 ~ 768.5657
MzDiff: none
PG(16:0/18:0) (BioDeep_00000019281)
Formula: C40H79O10P (750.5411)
2.36 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052122 Unreliable 768.571 768.571 ~ 768.571
MzDiff: none
Not Annotated 2.31 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000057493 Unreliable 768.5557 768.5555 ~ 768.5558
MzDiff: 1.0 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
0.73 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000027497 Unreliable 768.5566 768.5565 ~ 768.5567
MzDiff: 0.7 ppm
SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215361)
Formula: C42H77N2O8P (768.5417)
3.71 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000056735 Unreliable 768.5537 768.5536 ~ 768.5537
MzDiff: 0.5 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
2.93 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000028335 Unreliable 768.5586 768.5586 ~ 768.5586
MzDiff: none
SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215361)
Formula: C42H77N2O8P (768.5417)
1.36 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029553 Unreliable 768.5586 768.5586 ~ 768.5586
MzDiff: none
SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215361)
Formula: C42H77N2O8P (768.5417)
0.4 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031483 Unreliable 768.5586 768.5586 ~ 768.5586
MzDiff: none
SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215361)
Formula: C42H77N2O8P (768.5417)
0.62 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000056014 Unavailable 768.5582 768.5582 ~ 768.5582
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
-0.49 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 18 Sample Hits
Metabolite Species Sample
SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 3.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 3.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 3.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 12.1)
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.

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 10.8)
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.

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 11)
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%).

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 8.3)
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

PG(16:0/18:0)

Formula: C40H79O10P (750.5411)
Adducts: [M+NH4]+ (Ppm: 16)
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).

PG(16:0/18:0)

Formula: C40H79O10P (750.5411)
Adducts: [M+NH4]+ (Ppm: 15.9)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

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).

PE(18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO8P (767.5465)
Adducts: [M+H]+ (Ppm: 6.2)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

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).

PG(16:0/18:0)

Formula: C40H79O10P (750.5411)
Adducts: [M+NH4]+ (Ppm: 18.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 9.9)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO8P (767.5465)
Adducts: [M+H]+ (Ppm: 5.8)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

SM(d17:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C42H77N2O8P (768.5417)
Adducts: [M-H2O+NH4]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO8P (767.5465)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PE(18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO8P (767.5465)
Adducts: [M+H]+ (Ppm: 2.7)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description