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 7 Reference Ions Near m/z 438.2759
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057814 Reliable 438.2774 438.277 ~ 438.2778
MzDiff: 3.1 ppm
2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (BioDeep_00000175601)
Formula: C25H40ClNO3 (437.2697)
3.65 (83%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000043257 Reliable 438.2708 438.2707 ~ 438.2709
MzDiff: 0.8 ppm
Levonantradol (BioDeep_00000180453)
Formula: C27H35NO4 (437.2566)
8.45 (43%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065159 Reliable 438.2772 438.277 ~ 438.2774
MzDiff: 1.5 ppm
2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (BioDeep_00000175601)
Formula: C25H40ClNO3 (437.2697)
5.42 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065745 Unreliable 438.2709 438.2707 ~ 438.271
MzDiff: 1.1 ppm
(8alpha,10alpha,13alpha,17beta)-17-[(4-Hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid (BioDeep_00000172030)
Formula: C27H32O4 (420.23)
1.46 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000047004 Unreliable 438.2785 438.2785 ~ 438.2785
MzDiff: none
2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (BioDeep_00000175601)
Formula: C25H40ClNO3 (437.2697)
3.03 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000056327 Unreliable 438.2715 438.271 ~ 438.2719
MzDiff: 3.8 ppm
Levonantradol (BioDeep_00000180453)
Formula: C27H35NO4 (437.2566)
0.64 (50%) Homo sapiens
[UBERON:0007779] transudate
MSI_000058350 Unreliable 438.2769 438.2768 ~ 438.2769
MzDiff: 0.7 ppm
Lenapenem (BioDeep_00000180416)
Formula: C18H29N3O5S (399.1828)
1.48 (50%) Homo sapiens
[UBERON:0007779] transudate

Found 30 Sample Hits
Metabolite Species Sample
Levonantradol

Formula: C27H35NO4 (437.2566)
Adducts: [M+H]+ (Ppm: 16.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Levonantradol

Formula: C27H35NO4 (437.2566)
Adducts: [M+H]+ (Ppm: 18.1)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Levonantradol

Formula: C27H35NO4 (437.2566)
Adducts: [M+H]+ (Ppm: 13.5)
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.

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 0.8)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 0.2)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

Levonantradol

Formula: C27H35NO4 (437.2566)
Adducts: [M+H]+ (Ppm: 11.7)
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).

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 3.6)
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).

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 7.1)
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).

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 7.6)
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).

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Lenapenem

Formula: C18H29N3O5S (399.1828)
Adducts: [M+K]+ (Ppm: 7.6)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 12.4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 11.5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 1.2)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 12.2)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 11.9)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 0.4)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 2)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

Levonantradol

Formula: C27H35NO4 (437.2566)
Adducts: [M+H]+ (Ppm: 16.9)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

Levonantradol

Formula: C27H35NO4 (437.2566)
Adducts: [M+H]+ (Ppm: 16.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Lenapenem

Formula: C18H29N3O5S (399.1828)
Adducts: [M+K]+ (Ppm: 8.3)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 1.3)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 0.3)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 0.2)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Formula: C25H40ClNO3 (437.2697)
Adducts: [M+H]+ (Ppm: 0.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description