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 18 Reference Ions Near m/z 700.5046
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046468 Reliable 700.4982 700.4982 ~ 700.4982
MzDiff: none
PS(16:0/16:0) (BioDeep_00000019311)
Formula: C38H74NO10P (735.505)
4.53 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000058289 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058406 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062026 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062994 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063383 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063637 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063688 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064777 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065072 Reliable 700.5022 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
7.51 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065201 Reliable 700.5006 700.5002 ~ 700.5009
MzDiff: 2.9 ppm
PA(18:1(9Z)/18:1(9Z)) (BioDeep_00000027131)
Formula: C39H73O8P (700.5043)
4.9 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000057871 Reliable 700.5023 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PS(16:0/16:0) (BioDeep_00000019311)
Formula: C38H74NO10P (735.505)
5.79 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043282 Unreliable 700.5023 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PS(16:0/16:0) (BioDeep_00000019311)
Formula: C38H74NO10P (735.505)
4.13 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043546 Unreliable 700.5023 700.502 ~ 700.5027
MzDiff: 2.8 ppm
PS(16:0/16:0) (BioDeep_00000019311)
Formula: C38H74NO10P (735.505)
4.13 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057310 Unreliable 700.5006 700.5005 ~ 700.5008
MzDiff: 1.0 ppm
PS(16:0/16:0) (BioDeep_00000019311)
Formula: C38H74NO10P (735.505)
0.75 (75%) Homo sapiens
[UBERON:0007779] transudate
MSI_000052002 Unreliable 700.5046 700.5046 ~ 700.5046
MzDiff: none
PS(16:0/16:0) (BioDeep_00000019311)
Formula: C38H74NO10P (735.505)
2.36 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052436 Unreliable 700.5131 700.5131 ~ 700.5131
MzDiff: none
Not Annotated 2.01 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056221 Unavailable 700.5027 700.5027 ~ 700.5027
MzDiff: none
PE(15:0/18:3(6Z,9Z,12Z)) (BioDeep_00000030150)
Formula: C38H70NO8P (699.4839)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 27 Sample Hits
Metabolite Species Sample
PE(15:0/18:3(6Z,9Z,12Z))

Formula: C38H70NO8P (699.4839)
Adducts: [M+H]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 15.9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 10.1)
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.

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 1.2)
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).

m/z_700.5042

Formula: - (n/a)
Adducts: (Ppm: 0)
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(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 19.2)
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_700.5026

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

Description

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 13.3)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 15.5)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(15:0/18:3(6Z,9Z,12Z))

Formula: C38H70NO8P (699.4839)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 15.1)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(15:0/18:3(6Z,9Z,12Z))

Formula: C38H70NO8P (699.4839)
Adducts: [M+H]+ (Ppm: 15.2)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4.2)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(15:0/18:3(6Z,9Z,12Z))

Formula: C38H70NO8P (699.4839)
Adducts: [M+H]+ (Ppm: 14.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 14.9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PS(16:0/16:0)

Formula: C38H74NO10P (735.505)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PA(18:1(9Z)/18:1(9Z))

Formula: C39H73O8P (700.5043)
Adducts: [M]+ (Ppm: 4.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description