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 836.537
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043087 Reliable 836.5466 836.5461 ~ 836.5469
MzDiff: 3.4 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
11.16 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046878 Reliable 836.5346 836.5342 ~ 836.5349
MzDiff: 2.7 ppm
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
5.11 (57%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046872 Reliable 836.5456 836.5451 ~ 836.5459
MzDiff: 3.2 ppm
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
6.89 (83%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043409 Unreliable 836.5368 836.5367 ~ 836.537
MzDiff: 1.3 ppm
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
4.49 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057861 Unreliable 836.5356 836.5353 ~ 836.5359
MzDiff: 2.2 ppm
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000209090)
Formula: C49H78NO10P (871.5363)
2.92 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047036 Unreliable 836.5403 836.5403 ~ 836.5403
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
2.95 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047479 Unreliable 836.5323 836.5323 ~ 836.5323
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
2.27 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051953 Unreliable 836.5422 836.5422 ~ 836.5422
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
2.37 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052036 Unreliable 836.5338 836.5338 ~ 836.5338
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000043678 Unreliable 836.5386 836.5386 ~ 836.5386
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
1.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055677 Unreliable 836.5324 836.532 ~ 836.5327
MzDiff: 2.9 ppm
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
0.82 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000065736 Unreliable 836.5467 836.5467 ~ 836.5467
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
1.51 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000004577 Unreliable 836.5414 836.5414 ~ 836.5414
MzDiff: none
Roxithromycin (BioDeep_00000001563)
Formula: C41H76N2O15 (836.5245)
0.42 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000030437 Unreliable 836.5355 836.5355 ~ 836.5355
MzDiff: none
Amitenone (BioDeep_00000023078)
Formula: C53H72O8 (836.5227)
1.77 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030466 Unreliable 836.53 836.53 ~ 836.53
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
1.73 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031749 Unavailable 836.53 836.53 ~ 836.53
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
-0.07 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000032015 Unavailable 836.5355 836.5355 ~ 836.5355
MzDiff: none
Amitenone (BioDeep_00000023078)
Formula: C53H72O8 (836.5227)
-0.34 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000065327 Unreliable 836.5347 836.5347 ~ 836.5347
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
1.15 (100%) Homo sapiens
[UBERON:0001155] colon

Found 30 Sample Hits
Metabolite Species Sample
Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (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

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 14.1)
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.

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 12.6)
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.

Amitenone

Formula: C53H72O8 (836.5227)
Adducts: [M-H2O+NH4]+ (Ppm: 12.5)
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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

Formula: C49H78NO10P (871.5363)
Adducts: [M+H-2H2O]+ (Ppm: 16.1)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 11)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 14)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 14.3)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 9)
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).

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 9.6)
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).

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 13.6)
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).

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 13.6)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 0.7)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 12.2)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 10.6)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 10.5)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

Roxithromycin

Formula: C41H76N2O15 (836.5245)
Adducts: [M-H2O+NH4]+ (Ppm: 12.9)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 8)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 8.2)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 14.4)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 15.4)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 17.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

m/z_836.5349

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 6.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PS(16:0/PGF1alpha)

Formula: C42H78NO13P (835.5211)
Adducts: [M+H]+ (Ppm: 13)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 10.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 9.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 10)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

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

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 9.7)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description