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 13 Reference Ions Near m/z 778.5845
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046863 Reliable 778.5765 778.5761 ~ 778.5767
MzDiff: 2.6 ppm
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
17.15 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043187 Reliable 778.5765 778.5762 ~ 778.5767
MzDiff: 2.3 ppm
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
13.58 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057798 Reliable 778.5925 778.5922 ~ 778.5927
MzDiff: 2.1 ppm
Distearoyl phosphatidylglycerol (BioDeep_00000178440)
Formula: C42H83O10P (778.5724)
3.2 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000008215 Reliable 778.5754 778.5753 ~ 778.5756
MzDiff: 1.6 ppm
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
12.68 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000020941 Reliable 778.5754 778.5753 ~ 778.5756
MzDiff: 1.6 ppm
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
3.05 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000043573 Reliable 778.5782 778.578 ~ 778.5784
MzDiff: 1.6 ppm
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
5.84 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065339 Unreliable 778.5757 778.5757 ~ 778.5759
MzDiff: 1.0 ppm
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
2.82 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000046955 Unreliable 778.5772 778.5772 ~ 778.5772
MzDiff: none
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
3.1 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052487 Unreliable 778.5804 778.5804 ~ 778.5804
MzDiff: none
SM(d19:1/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000215678)
Formula: C44H79N2O7P (778.5625)
1.95 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047031 Unreliable 778.5845 778.5845 ~ 778.5845
MzDiff: none
Distearoyl phosphatidylglycerol (BioDeep_00000178440)
Formula: C42H83O10P (778.5724)
2.96 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052500 Unreliable 778.5877 778.5877 ~ 778.5877
MzDiff: none
Distearoyl phosphatidylglycerol (BioDeep_00000178440)
Formula: C42H83O10P (778.5724)
1.91 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047252 Unreliable 778.5918 778.5918 ~ 778.5918
MzDiff: none
SM(d18:1/18:1(12Z)-2OH(9,10)) (BioDeep_00000215526)
Formula: C41H81N2O8P (760.573)
2.48 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000056192 Unavailable 778.5784 778.5784 ~ 778.5784
MzDiff: none
PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018587)
Formula: C45H80NO7P (777.5672)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 7 Sample Hits
Metabolite Species Sample
m/z_778.5943

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

Distearoyl phosphatidylglycerol

Formula: C42H83O10P (778.5724)
Adducts: [M-H2O+NH4]+ (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).

Distearoyl phosphatidylglycerol

Formula: C42H83O10P (778.5724)
Adducts: [M-H2O+NH4]+ (Ppm: 14)
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(d19:1/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C44H79N2O7P (778.5625)
Adducts: [M-H2O+NH4]+ (Ppm: 6.8)
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).

m/z_778.583

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C45H80NO7P (777.5672)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C45H80NO7P (777.5672)
Adducts: [M+H]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description