M/Z: 331.2641
Hit 4 annotations: Dihomolinoleate (20:2n6)_[M+Na]+; Clupanodonic acid_[M+H]+; Bepridil_[M+H-2H2O]+; Decenoylcarnitine_[M+NH4]+
- 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 20 Reference Ions Near m/z 331.2641
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000055574 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000058319 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000058433 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000062053 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000063021 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000063410 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000063664 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000063715 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000064804 Reliable | 331.2651 | 331.265 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.8 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000065117 Reliable | 331.2642 | 331.264 ~ 331.2644 MzDiff: 1.5 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
6.17 (100%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000043092 Unreliable | 331.2652 | 331.2651 ~ 331.2653 MzDiff: 0.8 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
4.44 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000065099 Unreliable | 331.2638 | 331.2634 ~ 331.264 MzDiff: 2.6 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
5.33 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000043849 Unreliable | 331.2652 | 331.2652 ~ 331.2653 MzDiff: 0.2 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
2.7 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000045845 Unreliable | 331.2652 | 331.2652 ~ 331.2653 MzDiff: 0.2 ppm |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
2.7 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000046969 Unreliable | 331.2695 | 331.2695 ~ 331.2695 MzDiff: none |
Sameridine (BioDeep_00000183139) Formula: C21H34N2O (330.2671) |
3.08 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047438 Unreliable | 331.2579 | 331.2579 ~ 331.2579 MzDiff: none |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
2.29 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000051692 Unreliable | 331.2626 | 331.2626 ~ 331.2626 MzDiff: none |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
2.61 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000051700 Unreliable | 331.2703 | 331.2703 ~ 331.2703 MzDiff: none |
Sameridine (BioDeep_00000183139) Formula: C21H34N2O (330.2671) |
2.59 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000065649 Unreliable | 331.2553 | 331.255 ~ 331.2554 MzDiff: 1.5 ppm |
Bepridil (BioDeep_00000001663) Formula: C24H34N2O (366.2671) |
2.18 (100%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000056090 Unavailable | 331.2653 | 331.2653 ~ 331.2653 MzDiff: none |
Clupanodonic acid (BioDeep_00000003493) Formula: C22H34O2 (330.2559) |
-0.54 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 39 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| Dihomolinoleate (20:2n6) Formula: C20H36O2 (308.2715) Adducts: [M+Na]+ (Ppm: 2.6) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 0.8) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 6.2) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
| Bepridil Formula: C24H34N2O (366.2671) Adducts: [M+H-2H2O]+ (Ppm: 14.4) |
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). |
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 6.5) |
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). |
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 1.6) |
Homo sapiens (colorectal adenocarcinoma) |
439TopL, 409TopR, 429BottomL, 419BottomR-profileResolution: 17μm, 157x136
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). |
|
| Decenoylcarnitine Formula: C17H31NO4 (313.2253) Adducts: [M+NH4]+ (Ppm: 0.5) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 15.3) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5.3) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 6.5) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 1.1) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 4.4) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 4.1) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5.9) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5.3) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5.6) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 5.3) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 2.9) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
| Clupanodonic acid Formula: C22H34O2 (330.2559) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|
