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 10 Reference Ions Near m/z 816.5744
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043839 Reliable 816.5784 816.5781 ~ 816.5788
MzDiff: 3.1 ppm
PS(18:1(11Z)/20:1(11Z)) (BioDeep_00000104752)
Formula: C44H82NO10P (815.5676)
12.27 (59%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043228 Reliable 816.5774 816.5772 ~ 816.5778
MzDiff: 2.6 ppm
PS(18:1(11Z)/20:1(11Z)) (BioDeep_00000104752)
Formula: C44H82NO10P (815.5676)
5.06 (71%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057616 Unreliable 816.5767 816.5765 ~ 816.5769
MzDiff: 1.9 ppm
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018532)
Formula: C48H84NO8P (833.5934)
0.94 (75%) Homo sapiens
[UBERON:0007779] transudate
MSI_000047758 Unreliable 816.5778 816.5778 ~ 816.5778
MzDiff: none
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018532)
Formula: C48H84NO8P (833.5934)
2.13 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047794 Unreliable 816.5698 816.5698 ~ 816.5698
MzDiff: none
PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030517)
Formula: C47H78NO8P (815.5465)
2.11 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052387 Unreliable 816.576 816.576 ~ 816.576
MzDiff: none
PS(18:1(11Z)/20:1(11Z)) (BioDeep_00000104752)
Formula: C44H82NO10P (815.5676)
2.1 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052416 Unreliable 816.57 816.57 ~ 816.57
MzDiff: none
PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030517)
Formula: C47H78NO8P (815.5465)
2.05 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000026257 Unreliable 816.5818 816.5817 ~ 816.5819
MzDiff: 0.9 ppm
PS(18:1(11Z)/20:1(11Z)) (BioDeep_00000104752)
Formula: C44H82NO10P (815.5676)
3.57 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000065479 Unreliable 816.5771 816.5771 ~ 816.5771
MzDiff: none
PS(18:1(11Z)/20:1(11Z)) (BioDeep_00000104752)
Formula: C44H82NO10P (815.5676)
1.87 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056204 Unavailable 816.5792 816.5792 ~ 816.5792
MzDiff: none
PS(18:1(11Z)/20:1(11Z)) (BioDeep_00000104752)
Formula: C44H82NO10P (815.5676)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 28 Sample Hits
Metabolite Species Sample
m/z_816.581

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

m/z_816.5802

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

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

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-H2O]+ (Ppm: 14.2)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

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

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-H2O]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

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

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-H2O]+ (Ppm: 15.1)
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).

PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C42H68NO10P (777.4581)
Adducts: [M+K]+ (Ppm: 18.5)
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).

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 1.4)
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).

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

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

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-H2O]+ (Ppm: 16.5)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 5.3)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 4.1)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 1.9)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 3.9)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

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

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-H2O]+ (Ppm: 15.7)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

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

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-H2O]+ (Ppm: 14.7)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

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

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-H2O]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2.7)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 1.7)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PS(18:1(11Z)/20:1(11Z))

Formula: C44H82NO10P (815.5676)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description