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 279.1641
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053000 Reliable 279.1636 279.1631 ~ 279.164
MzDiff: 3.6 ppm
alpha-CEHC (BioDeep_00000027716)
Formula: C16H22O4 (278.1518)
19.06 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000017602 Reliable 279.1584 279.1583 ~ 279.1587
MzDiff: 1.8 ppm
Diisobutyl phthalate (BioDeep_00000002813)
Formula: C16H22O4 (278.1518)
1.95 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000056616 Unreliable 279.1641 279.1641 ~ 279.1642
MzDiff: 0.3 ppm
alpha-CEHC (BioDeep_00000027716)
Formula: C16H22O4 (278.1518)
3.08 (75%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000033364 Unreliable 279.1589 279.1587 ~ 279.159
MzDiff: 1.0 ppm
Diisobutyl phthalate (BioDeep_00000002813)
Formula: C16H22O4 (278.1518)
1.36 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000053346 Unreliable 279.1608 279.1608 ~ 279.1608
MzDiff: none
Leucylphenylalanine (BioDeep_00000019170)
Formula: C15H22N2O3 (278.163)
2.64 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000036990 Unreliable 279.1588 279.1587 ~ 279.159
MzDiff: 1.0 ppm
Diisobutyl phthalate (BioDeep_00000002813)
Formula: C16H22O4 (278.1518)
1.26 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000032105 Unreliable 279.1717 279.1717 ~ 279.1717
MzDiff: none
Momilactone A (BioDeep_00000012028)
Formula: C20H26O3 (314.1882)
2.42 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000034977 Unavailable 279.1717 279.1717 ~ 279.1717
MzDiff: none
Momilactone A (BioDeep_00000012028)
Formula: C20H26O3 (314.1882)
-0.36 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000035474 Unreliable 279.1717 279.1717 ~ 279.1717
MzDiff: none
Momilactone A (BioDeep_00000012028)
Formula: C20H26O3 (314.1882)
0.06 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000035784 Unavailable 279.1587 279.1587 ~ 279.1587
MzDiff: none
Diisobutyl phthalate (BioDeep_00000002813)
Formula: C16H22O4 (278.1518)
-0.35 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000039687 Unreliable 279.159 279.159 ~ 279.159
MzDiff: none
Diisobutyl phthalate (BioDeep_00000002813)
Formula: C16H22O4 (278.1518)
1.99 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000055872 Unavailable 279.1641 279.1641 ~ 279.1641
MzDiff: none
Doxepin (BioDeep_00000002430)
Formula: C19H21NO (279.1623)
-0.24 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 31 Sample Hits
Metabolite Species Sample
alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 1.2)
Marker Pen (NA)
3ul_0.8Mpa_RAW_20241016-PAPER PNMK
Resolution: 30μm, 315x42

Description

By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of 322.1918, 323.1953, 546.4010, and etc, from the single cell deconvolution sampling layer class_4. This test data was tested by chuxiaoping from PANOMIX’s R&D laboratory.

Diisobutyl phthalate

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 0.4)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

Diisobutyl phthalate

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 0.6)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 8.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 13)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Leucylphenylalanine

Formula: C15H22N2O3 (278.163)
Adducts: [M+H]+ (Ppm: 6.8)
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.

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 18.3)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 16.2)
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).

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 2.9)
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).

Leucylphenylalanine

Formula: C15H22N2O3 (278.163)
Adducts: [M+H]+ (Ppm: 15.8)
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).

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 15.8)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 17.3)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Doxepin

Formula: C19H21NO (279.1623)
Adducts: [M]+ (Ppm: 8.4)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 13.3)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 15.8)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 17.3)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 17.6)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 17.3)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 15.5)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 14.4)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 15.8)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 16.2)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 14.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 14.4)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 15.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description

alpha-CEHC

Formula: C16H22O4 (278.1518)
Adducts: [M+H]+ (Ppm: 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