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 16 Reference Ions Near m/z 787.5276
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043065 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058410 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062030 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062998 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063387 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063641 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063692 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064781 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065076 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
11.15 (73%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043153 Reliable 787.5344 787.534 ~ 787.5348
MzDiff: 3.3 ppm
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
7.67 (82%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057268 Unreliable 787.5328 787.5326 ~ 787.533
MzDiff: 1.7 ppm
SM(d16:2(4E,8Z)/6 keto-PGF1alpha) (BioDeep_00000215305)
Formula: C41H75N2O10P (786.5159)
1.02 (50%) Homo sapiens
[UBERON:0007779] transudate
MSI_000047882 Unreliable 787.5305 787.5305 ~ 787.5305
MzDiff: none
SM(d16:2(4E,8Z)/6 keto-PGF1alpha) (BioDeep_00000215305)
Formula: C41H75N2O10P (786.5159)
2.03 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052151 Unreliable 787.5306 787.5306 ~ 787.5306
MzDiff: none
SM(d16:2(4E,8Z)/6 keto-PGF1alpha) (BioDeep_00000215305)
Formula: C41H75N2O10P (786.5159)
2.3 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052412 Unreliable 787.5232 787.5232 ~ 787.5232
MzDiff: none
PG(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000185448)
Formula: C42H75O11P (786.5047)
2.05 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065562 Unreliable 787.5327 787.5326 ~ 787.5328
MzDiff: 0.5 ppm
SM(d16:2(4E,8Z)/6 keto-PGF1alpha) (BioDeep_00000215305)
Formula: C41H75N2O10P (786.5159)
2.37 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056095 Unavailable 787.5351 787.5351 ~ 787.5351
MzDiff: none
PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000189654)
Formula: C43H79O10P (786.5411)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 18 Sample Hits
Metabolite Species Sample
SM(d16:2(4E,8Z)/6 keto-PGF1alpha)

Formula: C41H75N2O10P (786.5159)
Adducts: [M+H]+ (Ppm: 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

TRAP-6

Formula: C34H56N10O9 (748.4232)
Adducts: [M+K]+ (Ppm: 10)
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(d16:2(4E,8Z)/6 keto-PGF1alpha)

Formula: C41H75N2O10P (786.5159)
Adducts: [M+H]+ (Ppm: 10.8)
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%).

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

Formula: C46H79O10P (822.5411)
Adducts: [M+H-2H2O]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

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

Formula: C46H79O10P (822.5411)
Adducts: [M+H-2H2O]+ (Ppm: 6.2)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C43H79O10P (786.5411)
Adducts: [M+H]+ (Ppm: 17.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

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

Formula: C46H79O10P (822.5411)
Adducts: [M+H-2H2O]+ (Ppm: 6.2)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

PG(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C42H75O11P (786.5047)
Adducts: [M+H]+ (Ppm: 14.3)
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).

SM(d16:2(4E,8Z)/6 keto-PGF1alpha)

Formula: C41H75N2O10P (786.5159)
Adducts: [M+H]+ (Ppm: 5.6)
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).

SM(d16:2(4E,8Z)/6 keto-PGF1alpha)

Formula: C41H75N2O10P (786.5159)
Adducts: [M+H]+ (Ppm: 9.4)
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).

SM(d16:2(4E,8Z)/6 keto-PGF1alpha)

Formula: C41H75N2O10P (786.5159)
Adducts: [M+H]+ (Ppm: 8.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

SM(d18:2(4E,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C45H77N2O8P (804.5417)
Adducts: [M+H-H2O]+ (Ppm: 7.5)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C43H79O10P (786.5411)
Adducts: [M+H]+ (Ppm: 19.6)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C43H79O10P (786.5411)
Adducts: [M+H]+ (Ppm: 19.3)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C43H79O10P (786.5411)
Adducts: [M+H]+ (Ppm: 19.6)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

SM(d16:2(4E,8Z)/6 keto-PGF1alpha)

Formula: C41H75N2O10P (786.5159)
Adducts: [M+H]+ (Ppm: 12.2)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

SM(d16:2(4E,8Z)/6 keto-PGF1alpha)

Formula: C41H75N2O10P (786.5159)
Adducts: [M+H]+ (Ppm: 12)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PA(20:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C43H79O10P (786.5411)
Adducts: [M+H]+ (Ppm: 19.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description