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 22 Reference Ions Near m/z 325.1842
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000064730 Reliable 325.1838 325.1835 ~ 325.184
MzDiff: 2.1 ppm
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
7.41 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000052730 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053100 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000056652 Reliable 325.1915 325.1912 ~ 325.1916
MzDiff: 1.9 ppm
Quinine (BioDeep_00000002037)
Formula: C20H24N2O2 (324.1838)
4.06 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000058225 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000058397 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000061078 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000062913 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000063069 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000063476 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000063679 Reliable 325.1851 325.185 ~ 325.1852
MzDiff: 0.7 ppm
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
6.02 (70%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053383 Reliable 325.1935 325.1934 ~ 325.1935
MzDiff: 0.2 ppm
iso-OMPA (BioDeep_00000180123)
Formula: C12H32N4O3P2 (342.195)
3.93 (67%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000045882 Reliable 325.1775 325.1775 ~ 325.1775
MzDiff: none
Escitalopram (BioDeep_00000017867)
Formula: C20H21FN2O (324.1638)
8.78 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000053452 Reliable 325.1768 325.1767 ~ 325.1769
MzDiff: 1.0 ppm
Escitalopram (BioDeep_00000017867)
Formula: C20H21FN2O (324.1638)
4.34 (62%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053159 Unreliable 325.1866 325.1866 ~ 325.1866
MzDiff: none
Quinine (BioDeep_00000002037)
Formula: C20H24N2O2 (324.1838)
2.9 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000032161 Unreliable 325.1774 325.1771 ~ 325.1778
MzDiff: 2.7 ppm
Monocrotaline (BioDeep_00000002079)
Formula: C16H23NO6 (325.1525)
3.82 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000013124 Unavailable 325.1775 325.1775 ~ 325.1775
MzDiff: none
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
-0.72 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013768 Unreliable 325.1775 325.1775 ~ 325.1775
MzDiff: none
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
0.18 (100%) Plant
[PO:0005417] phloem
MSI_000015258 Unavailable 325.1775 325.1775 ~ 325.1775
MzDiff: none
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
-0.65 (100%) Plant
[PO:0006036] root epidermis
MSI_000018644 Unreliable 325.1775 325.1775 ~ 325.1775
MzDiff: none
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
1.67 (100%) Plant
[PO:0020124] root stele
MSI_000019854 Unavailable 325.1775 325.1775 ~ 325.1775
MzDiff: none
Cortisone (BioDeep_00000001526)
Formula: C21H28O5 (360.1937)
-0.48 (100%) Plant
[PO:0025197] stele
MSI_000055834 Unavailable 325.1852 325.1852 ~ 325.1852
MzDiff: none
Piperonyl sulfoxide (BioDeep_00000012643)
Formula: C18H28O3S (324.1759)
-0.06 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 37 Sample Hits
Metabolite Species Sample
Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 11.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 14.4)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 12.9)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

Escitalopram

Formula: C20H21FN2O (324.1638)
Adducts: [M+H]+ (Ppm: 19.8)
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.

Quinine

Formula: C20H24N2O2 (324.1838)
Adducts: [M+H]+ (Ppm: 18.3)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 13.8)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 12.9)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 6.2)
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).

Quinine

Formula: C20H24N2O2 (324.1838)
Adducts: [M+H]+ (Ppm: 13.7)
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).

Monocrotaline

Formula: C16H23NO6 (325.1525)
Adducts: [M-H2O+NH4]+ (Ppm: 6.5)
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).

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
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).

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 5.8)
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).

Monocrotaline

Formula: C16H23NO6 (325.1525)
Adducts: [M-H2O+NH4]+ (Ppm: 8.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Piperonyl sulfoxide

Formula: C18H28O3S (324.1759)
Adducts: [M+H]+ (Ppm: 6.2)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 11.3)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 13.8)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 13.8)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 14.1)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 13.8)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 14.7)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 14.4)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Piperonyl sulfoxide

Formula: C18H28O3S (324.1759)
Adducts: [M+H]+ (Ppm: 5.9)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Piperonyl sulfoxide

Formula: C18H28O3S (324.1759)
Adducts: [M+H]+ (Ppm: 5.3)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 13.5)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 14.1)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 13.8)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 12.9)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 14.1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Cortisone

Formula: C21H28O5 (360.1937)
Adducts: [M+H-2H2O]+ (Ppm: 12.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description