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 19 Reference Ions Near m/z 752.5536
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006559 Reliable 752.5602 752.56 ~ 752.5604
MzDiff: 1.5 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
5.08 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000057875 Reliable 752.5606 752.5604 ~ 752.561
MzDiff: 2.5 ppm
SM(d17:1/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000215341)
Formula: C42H77N2O7P (752.5468)
10.59 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057823 Reliable 752.5506 752.5501 ~ 752.551
MzDiff: 3.7 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
12.56 (64%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043672 Reliable 752.5523 752.552 ~ 752.5528
MzDiff: 3.0 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
8.13 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043199 Reliable 752.5624 752.5622 ~ 752.5626
MzDiff: 1.8 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
5.15 (71%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065105 Reliable 752.5506 752.5502 ~ 752.5509
MzDiff: 3.0 ppm
PA(18:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000188627)
Formula: C39H75O10P (734.5098)
6.44 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065154 Reliable 752.5605 752.5601 ~ 752.5608
MzDiff: 2.8 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
5.46 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056929 Reliable 752.5605 752.5603 ~ 752.5608
MzDiff: 1.9 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
1.41 (67%) Homo sapiens
[UBERON:0007779] transudate
MSI_000043574 Unreliable 752.5626 752.5626 ~ 752.5626
MzDiff: 0.1 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
2.59 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047106 Unreliable 752.554 752.554 ~ 752.554
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
2.8 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047202 Unreliable 752.561 752.561 ~ 752.561
MzDiff: none
SM(d17:1/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000215341)
Formula: C42H77N2O7P (752.5468)
2.58 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047506 Unreliable 752.5471 752.5471 ~ 752.5471
MzDiff: none
PA(18:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000188627)
Formula: C39H75O10P (734.5098)
2.26 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052275 Unreliable 752.545 752.545 ~ 752.545
MzDiff: none
SM(d16:2(4E,8Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000215314)
Formula: C41H71N2O7P (734.4999)
2.23 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052455 Unreliable 752.5536 752.5536 ~ 752.5536
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
1.99 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052491 Unreliable 752.5606 752.5606 ~ 752.5606
MzDiff: none
Not Annotated 1.93 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000043084 Unreliable 752.5495 752.549 ~ 752.55
MzDiff: 4.0 ppm
PA(18:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000188627)
Formula: C39H75O10P (734.5098)
2.31 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057848 Unreliable 752.5583 752.5583 ~ 752.5584
MzDiff: 0.4 ppm
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
3.27 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056163 Unavailable 752.5626 752.5626 ~ 752.5626
MzDiff: none
PE(P-18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000028156)
Formula: C43H78NO7P (751.5516)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056227 Unavailable 752.5531 752.5531 ~ 752.5531
MzDiff: none
SM(d17:1/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000215341)
Formula: C42H77N2O7P (752.5468)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 39 Sample Hits
Metabolite Species Sample
PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 9.2)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 6.5)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 9.5)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 11.6)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 8.8)
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.

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 8.5)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 6.4)
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).

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 14.1)
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).

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 7)
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).

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 12)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10.9)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

SM(d17:1/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C42H77N2O7P (752.5468)
Adducts: [M]+ (Ppm: 9.1)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 9.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 13.1)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

SM(d17:1/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C42H77N2O7P (752.5468)
Adducts: [M-H2O+NH4]+ (Ppm: 15.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 11.2)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 9.2)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10.4)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 9.9)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10.3)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10.3)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

SM(d17:1/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C42H77N2O7P (752.5468)
Adducts: [M]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 9.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 9.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 11.1)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 8.8)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 9)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10.8)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 9.7)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 9.1)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 9.7)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 8.8)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PA(18:0/18:1(12Z)-2OH(9,10))

Formula: C39H75O10P (734.5098)
Adducts: [M+NH4]+ (Ppm: 9.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description

PE(P-18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO7P (751.5516)
Adducts: [M+H]+ (Ppm: 3.1)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB