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 5 Reference Ions Near m/z 826.6882
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000065174 Reliable 826.6783 826.678 ~ 826.6787
MzDiff: 2.6 ppm
SM(d18:2(4E,14Z)/24:2(5Z,9Z)) (BioDeep_00000169981)
Formula: C47H89N2O6P (808.6458)
5.25 (57%) Homo sapiens
[UBERON:0001155] colon
MSI_000009860 Unreliable 826.6975 826.6974 ~ 826.6975
MzDiff: 0.1 ppm
PC(18:0/18:1(9Z)) (BioDeep_00000019219)
Formula: C44H86NO8P (787.6091)
4.75 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000047787 Unreliable 826.6847 826.6847 ~ 826.6847
MzDiff: none
TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000037693)
Formula: C52H88O6 (808.6581)
2.11 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000011911 Unavailable 826.6975 826.6975 ~ 826.6975
MzDiff: 0.0 ppm
PC(18:0/18:1(9Z)) (BioDeep_00000019219)
Formula: C44H86NO8P (787.6091)
-0.33 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000043829 Unreliable 826.6804 826.6804 ~ 826.6804
MzDiff: none
SM(d18:2(4E,14Z)/24:2(5Z,9Z)) (BioDeep_00000169981)
Formula: C47H89N2O6P (808.6458)
1.26 (100%) Homo sapiens
[UBERON:0001043] esophagus

Found 7 Sample Hits
Metabolite Species Sample
SM(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 13.5)
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%).

TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C52H88O6 (808.6581)
Adducts: [M+NH4]+ (Ppm: 8.7)
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).

m/z_826.6926

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

TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C52H88O6 (808.6581)
Adducts: [M+NH4]+ (Ppm: 4.5)
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).

Campesterol 6'-(9Z-octadecenoyl)-glucoside

Formula: C52H90O7 (826.6686)
Adducts: [M-H2O+NH4]+ (Ppm: 6.1)
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(d18:2(4E,14Z)/24:2(5Z,9Z))

Formula: C47H89N2O6P (808.6458)
Adducts: [M+NH4]+ (Ppm: 0.5)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(O-22:0/18:3(6Z,9Z,12Z))

Formula: C48H92NO7P (825.6611)
Adducts: [M+H]+ (Ppm: 11.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description