- 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 656.427
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) |
image1Resolution: 40μm, 187x165
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) |
image1Resolution: 40μm, 187x165
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 countResolution: 50μm, 97x131
Diseased |
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 11.8) |
Mus musculus (Lung) |
image2Resolution: 40μm, 550x256
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_3Resolution: 75μm, 121x68
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 11.9) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.3) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 6) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 6.4) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 6.2) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.1) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
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-profileResolution: 17μm, 147x131
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-profileResolution: 17μm, 142x136
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.7) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 7.2) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 6) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 7.5) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 7.6) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 5.3) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 7.5) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 9) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 5.1) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 5.1) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 7.2) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 7.7) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 7.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.7) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PS(14:1(9Z)/15:0) Formula: C35H66NO10P (691.4424) Adducts: [M+H-2H2O]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.6) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 9) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.4) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.9) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
13-Demethylspirolide C Formula: C42H61NO7 (691.4448) Adducts: [M+H-2H2O]+ (Ppm: 8.7) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|