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 12 Reference Ions Near m/z 240.0325
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015961 Reliable 240.0325 240.0325 ~ 240.0325
MzDiff: 0.2 ppm
(s)-((1e)-3-[(2r)-butan-2-yldisulfanyl]prop-1-en-1-yl methanesulfinate) (BioDeep_00002066668)
Formula: C8H16O2S3 (240.0312)
2.95 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000053769 Unreliable 240.0377 240.0377 ~ 240.0377
MzDiff: none
Danthron (BioDeep_00000406552)
Formula: C14H8O4 (240.0423)
2.85 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000012826 Unavailable 240.0392 240.0392 ~ 240.0392
MzDiff: none
Paraoxon (BioDeep_00000002359)
Formula: C10H14NO6P (275.0559)
-0.48 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014123 Unavailable 240.0392 240.0392 ~ 240.0392
MzDiff: none
Paraoxon (BioDeep_00000002359)
Formula: C10H14NO6P (275.0559)
-0.33 (100%) Plant
[PO:0005417] phloem
MSI_000014901 Unavailable 240.0392 240.0392 ~ 240.0392
MzDiff: none
Paraoxon (BioDeep_00000002359)
Formula: C10H14NO6P (275.0559)
-0.49 (100%) Plant
[PO:0006036] root epidermis
MSI_000018301 Unreliable 240.0392 240.0392 ~ 240.0392
MzDiff: none
Paraoxon (BioDeep_00000002359)
Formula: C10H14NO6P (275.0559)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000019896 Unavailable 240.0392 240.0392 ~ 240.0392
MzDiff: none
Paraoxon (BioDeep_00000002359)
Formula: C10H14NO6P (275.0559)
-0.49 (100%) Plant
[PO:0025197] stele
MSI_000033987 Unreliable 240.0381 240.0381 ~ 240.0381
MzDiff: none
Danthron (BioDeep_00000406552)
Formula: C14H8O4 (240.0423)
0.12 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000037538 Unreliable 240.0404 240.0404 ~ 240.0404
MzDiff: none
Liriodenine (BioDeep_00000000915)
Formula: C17H9NO3 (275.0582)
1.17 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000037747 Unreliable 240.0329 240.0329 ~ 240.0329
MzDiff: none
(s)-((1e)-3-[(2r)-butan-2-yldisulfanyl]prop-1-en-1-yl methanesulfinate) (BioDeep_00002066668)
Formula: C8H16O2S3 (240.0312)
0.24 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000037894 Unavailable 240.0259 240.0259 ~ 240.0259
MzDiff: none
L-Cystine (BioDeep_00000001366)
Formula: C6H12N2O4S2 (240.0238)
-0.03 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000039608 Unreliable 240.0329 240.0329 ~ 240.0329
MzDiff: none
(s)-((1e)-3-[(2r)-butan-2-yldisulfanyl]prop-1-en-1-yl methanesulfinate) (BioDeep_00002066668)
Formula: C8H16O2S3 (240.0312)
1.51 (100%) Posidonia oceanica
[PO:0005352] xylem

Found 9 Sample Hits
Metabolite Species Sample
Paraoxon

Formula: C10H14NO6P (275.0559)
Adducts: [M+H-2H2O]+ (Ppm: 10.9)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

(s)-((1e)-3-[(2r)-butan-2-yldisulfanyl]prop-1-en-1-yl methanesulfinate)

Formula: C8H16O2S3 (240.0312)
Adducts: [M]+ (Ppm: 7.5)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

(s)-((1e)-3-[(2r)-butan-2-yldisulfanyl]prop-1-en-1-yl methanesulfinate)

Formula: C8H16O2S3 (240.0312)
Adducts: [M]+ (Ppm: 7.5)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(s)-((1e)-3-[(2r)-butan-2-yldisulfanyl]prop-1-en-1-yl methanesulfinate)

Formula: C8H16O2S3 (240.0312)
Adducts: [M]+ (Ppm: 7.5)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Danthron

Formula: C14H8O4 (240.0423)
Adducts: [M]+ (Ppm: 14.6)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(s)-((1e)-3-[(2r)-butan-2-yldisulfanyl]prop-1-en-1-yl methanesulfinate)

Formula: C8H16O2S3 (240.0312)
Adducts: [M]+ (Ppm: 9.2)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

Danthron

Formula: C14H8O4 (240.0423)
Adducts: [M]+ (Ppm: 16.7)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

7-Amino-4-hydroxy-2-naphthalenesulfonic acid

Formula: C10H9NO4S (239.0252)
Adducts: [M+H]+ (Ppm: 18.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Paraoxon

Formula: C10H14NO6P (275.0559)
Adducts: [M+H-2H2O]+ (Ppm: 13)
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.