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 23 Reference Ions Near m/z 436.291
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006381 Reliable 436.2912 436.2911 ~ 436.2914
MzDiff: 1.5 ppm
(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol (BioDeep_00000034381)
Formula: C21H40O9 (436.2672)
11.65 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000058126 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058316 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058432 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062052 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063020 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063409 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063663 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063714 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064803 Reliable 436.2843 436.284 ~ 436.2846
MzDiff: 2.3 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
8.72 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046547 Reliable 436.2823 436.2823 ~ 436.2823
MzDiff: none
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
4.17 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000056671 Reliable 436.2843 436.2841 ~ 436.2846
MzDiff: 2.0 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
7 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065098 Unreliable 436.2827 436.2823 ~ 436.2829
MzDiff: 2.7 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
5.4 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000045844 Unreliable 436.2844 436.2841 ~ 436.2846
MzDiff: 2.0 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
4.12 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055570 Unreliable 436.2844 436.2841 ~ 436.2846
MzDiff: 2.0 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
4.12 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047188 Unreliable 436.2838 436.2838 ~ 436.2838
MzDiff: none
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
2.61 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047331 Unreliable 436.2898 436.2898 ~ 436.2898
MzDiff: none
3-oxocholest-4-en-26-oate (BioDeep_00000896533)
Formula: C27H41O3- (413.3056)
2.38 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000057299 Unreliable 436.2833 436.2832 ~ 436.2834
MzDiff: 0.9 ppm
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
0.81 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000043080 Unreliable 436.2845 436.2845 ~ 436.2845
MzDiff: none
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
1.47 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043776 Unreliable 436.2845 436.2845 ~ 436.2845
MzDiff: none
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
1.47 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065257 Unreliable 436.283 436.283 ~ 436.283
MzDiff: none
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
1.35 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056208 Unavailable 436.2846 436.2846 ~ 436.2846
MzDiff: none
LysoPE (16:0/0:0) (BioDeep_00000018999)
Formula: C21H44NO7P (453.2855)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000057094 Unreliable 436.2917 436.2917 ~ 436.2917
MzDiff: none
(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol (BioDeep_00000034381)
Formula: C21H40O9 (436.2672)
1.39 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 17 Sample Hits
Metabolite Species Sample
(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 1.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

N-Arachidonoyl Methionine

Formula: C25H41NO3S (435.2807)
Adducts: [M+H]+ (Ppm: 6.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 1.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 1.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 1.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 2.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 1.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 2.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 1.9)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 1.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 2.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

Formula: C21H40O9 (436.2672)
Adducts: [M-H2O+NH4]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

LysoPE (16:0/0:0)

Formula: C21H44NO7P (453.2855)
Adducts: [M+H-H2O]+ (Ppm: 0.1)
Mus musculus (Liver)
Salmonella_final_pos_recal
Resolution: 17μm, 691x430

Description

A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium. [dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671.

3-oxocholest-4-en-26-oate

Formula: C27H41O3- (413.3056)
Adducts: [M+Na]+ (Ppm: 11.4)
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).

3-oxocholest-4-en-26-oate

Formula: C27H41O3- (413.3056)
Adducts: [M+Na]+ (Ppm: 8.7)
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).

Terfenadine

Formula: C32H41NO2 (471.3137)
Adducts: [M+H-2H2O]+ (Ppm: 17.3)
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).

3-oxocholest-4-en-26-oate

Formula: C27H41O3- (413.3056)
Adducts: [M+Na]+ (Ppm: 11.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description