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 656.4267
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000056406 Reliable 656.4263 656.426 ~ 656.427
MzDiff: 4.1 ppm
13-Demethylspirolide C (BioDeep_00000022572)
Formula: C42H61NO7 (691.4448)
5.06 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053127 Reliable 656.4264 656.426 ~ 656.427
MzDiff: 4.1 ppm
13-Demethylspirolide C (BioDeep_00000022572)
Formula: C42H61NO7 (691.4448)
3.64 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000047052 Unreliable 656.4199 656.4199 ~ 656.4199
MzDiff: none
Not Annotated 2.92 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000024816 Unreliable 656.4277 656.4277 ~ 656.4277
MzDiff: none
13-Demethylspirolide C (BioDeep_00000022572)
Formula: C42H61NO7 (691.4448)
1.76 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000027734 Unreliable 656.4232 656.4232 ~ 656.4232
MzDiff: none
13-Demethylspirolide C (BioDeep_00000022572)
Formula: C42H61NO7 (691.4448)
2.04 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000055751 Unreliable 656.427 656.427 ~ 656.427
MzDiff: none
13-Demethylspirolide C (BioDeep_00000022572)
Formula: C42H61NO7 (691.4448)
0.36 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000065904 Unreliable 656.425 656.425 ~ 656.425
MzDiff: none
13-Demethylspirolide C (BioDeep_00000022572)
Formula: C42H61NO7 (691.4448)
1.15 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 37 Sample Hits
Metabolite Species Sample
m/z_656.4217

Formula: - (n/a)
Adducts: (Ppm: 0)
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

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 3.7)
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

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 4.9)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 11.8)
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%).

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 7.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 11.9)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 6)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 6.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 5.4)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 6.2)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.1)
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).

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.6)
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).

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 7.2)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 7.5)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 7.6)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 5.3)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 7.5)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 9)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 4.7)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 7.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 7.7)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 7.2)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PS(14:1(9Z)/15:0)

Formula: C35H66NO10P (691.4424)
Adducts: [M+H-2H2O]+ (Ppm: 4.7)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.6)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 9)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

13-Demethylspirolide C

Formula: C42H61NO7 (691.4448)
Adducts: [M+H-2H2O]+ (Ppm: 8.7)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description