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 14 Reference Ions Near m/z 796.5946
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043307 Reliable 796.5895 796.5892 ~ 796.5899
MzDiff: 2.8 ppm
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
8.68 (87%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000053122 Reliable 796.6044 796.604 ~ 796.6048
MzDiff: 3.2 ppm
Distearoyl phosphatidylglycerol (BioDeep_00000178440)
Formula: C42H83O10P (778.5724)
3.53 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000043184 Unreliable 796.5875 796.587 ~ 796.5879
MzDiff: 3.4 ppm
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
7.95 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000051923 Unreliable 796.5871 796.5871 ~ 796.5871
MzDiff: none
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
2.38 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047148 Unreliable 796.5917 796.5917 ~ 796.5917
MzDiff: none
Distearoyl phosphatidylglycerol (BioDeep_00000178440)
Formula: C42H83O10P (778.5724)
2.7 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052088 Unreliable 796.5946 796.5946 ~ 796.5946
MzDiff: none
Not Annotated 2.33 (%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047256 Unreliable 796.5991 796.5991 ~ 796.5991
MzDiff: none
SM(d20:1/20:3(6,8,11)-OH(5)) (BioDeep_00000215756)
Formula: C45H85N2O7P (796.6094)
2.47 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000065296 Unreliable 796.5881 796.5881 ~ 796.5881
MzDiff: none
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
2.55 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000059858 Unavailable 796.5847 796.5847 ~ 796.5847
MzDiff: none
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
-0.65 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060809 Unavailable 796.5847 796.5847 ~ 796.5847
MzDiff: none
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
-0.5 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000058502 Unreliable 796.5853 796.5853 ~ 796.5853
MzDiff: none
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
1.1 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000024800 Unreliable 796.586 796.586 ~ 796.586
MzDiff: none
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275)
Formula: C45H82NO8P (795.5778)
1.76 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000028500 Unreliable 796.5918 796.5918 ~ 796.5918
MzDiff: none
Distearoyl phosphatidylglycerol (BioDeep_00000178440)
Formula: C42H83O10P (778.5724)
0.99 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029335 Unreliable 796.5918 796.5918 ~ 796.5918
MzDiff: none
Distearoyl phosphatidylglycerol (BioDeep_00000178440)
Formula: C42H83O10P (778.5724)
1.25 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum

Found 14 Sample Hits
Metabolite Species Sample
SM(d19:0/PGJ2)

Formula: C44H81N2O8P (796.573)
Adducts: [M-H2O+NH4]+ (Ppm: 10.4)
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

SM(d19:0/PGJ2)

Formula: C44H81N2O8P (796.573)
Adducts: [M-H2O+NH4]+ (Ppm: 11.2)
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(d19:0/PGJ2)

Formula: C44H81N2O8P (796.573)
Adducts: [M-H2O+NH4]+ (Ppm: 10.7)
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.

Distearoyl phosphatidylglycerol

Formula: C42H83O10P (778.5724)
Adducts: [M+NH4]+ (Ppm: 18.1)
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(20:0/20:4(8Z,11Z,14Z,17Z))

Formula: C45H82NO8P (795.5778)
Adducts: [M+H]+ (Ppm: 6.1)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Distearoyl phosphatidylglycerol

Formula: C42H83O10P (778.5724)
Adducts: [M+NH4]+ (Ppm: 18.2)
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).

SM(d20:1/20:3(6,8,11)-OH(5))

Formula: C45H85N2O7P (796.6094)
Adducts: [M]+ (Ppm: 12.3)
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(d19:1/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H79N2O7P (778.5625)
Adducts: [M+NH4]+ (Ppm: 1.1)
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).

m/z_796.5946

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

Distearoyl phosphatidylglycerol

Formula: C42H83O10P (778.5724)
Adducts: [M+NH4]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

SM(d19:0/PGJ2)

Formula: C44H81N2O8P (796.573)
Adducts: [M-H2O+NH4]+ (Ppm: 8.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(20:0/20:4(8Z,11Z,14Z,17Z))

Formula: C45H82NO8P (795.5778)
Adducts: [M+H]+ (Ppm: 6.3)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(20:0/20:4(8Z,11Z,14Z,17Z))

Formula: C45H82NO8P (795.5778)
Adducts: [M+H]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(20:0/20:4(8Z,11Z,14Z,17Z))

Formula: C45H82NO8P (795.5778)
Adducts: [M+H]+ (Ppm: 5.5)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description