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 5 Reference Ions Near m/z 833.4447
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055512 Reliable 833.4475 833.4472 ~ 833.4478
MzDiff: 2.3 ppm
Conophylline (BioDeep_00000177645)
Formula: C44H50N4O10 (794.3527)
12.43 (61%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000023166 Unreliable 833.4349 833.4349 ~ 833.4349
MzDiff: none
Conophylline (BioDeep_00000177645)
Formula: C44H50N4O10 (794.3527)
0.5 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000024085 Unreliable 833.4349 833.4349 ~ 833.4349
MzDiff: none
Conophylline (BioDeep_00000177645)
Formula: C44H50N4O10 (794.3527)
0.75 (100%) Mus musculus
[UBERON:0004263] upper arm skin
MSI_000026188 Unreliable 833.4447 833.4447 ~ 833.4447
MzDiff: none
PGP(i-14:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000200043)
Formula: C38H74O15P2 (832.4503)
1.83 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000056167 Unavailable 833.4485 833.4485 ~ 833.4485
MzDiff: none
Conophylline (BioDeep_00000177645)
Formula: C44H50N4O10 (794.3527)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 14 Sample Hits
Metabolite Species Sample
PGP(i-14:0/18:1(12Z)-2OH(9,10))

Formula: C38H74O15P2 (832.4503)
Adducts: [M+H]+ (Ppm: 15.4)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

27-O-demethylrifabutin

Formula: C45H60N4O11 (832.4258)
Adducts: [M+H]+ (Ppm: 8.6)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

PGP(i-14:0/18:1(12Z)-2OH(9,10))

Formula: C38H74O15P2 (832.4503)
Adducts: [M+H]+ (Ppm: 11.9)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 5.6)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 3.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C41H74O15P2 (868.4503)
Adducts: [M+H-2H2O]+ (Ppm: 13.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Conophylline

Formula: C44H50N4O10 (794.3527)
Adducts: [M+K]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PGP(i-14:0/18:1(12Z)-2OH(9,10))

Formula: C38H74O15P2 (832.4503)
Adducts: [M+H]+ (Ppm: 11.9)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PGP(a-15:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C41H72O14P2 (850.4397)
Adducts: [M+H-H2O]+ (Ppm: 10.9)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description