M/Z: 698.515
Hit 2 annotations: PE(18:3(6Z,9Z,12Z)/P-16:0)_[M+H]+; 3,4-dihydroxy-5-all-trans-octaprenylbenzoate_[M+H]+
- 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 12 Reference Ions Near m/z 698.515
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000043314 Reliable | 698.5144 | 698.5141 ~ 698.5149 MzDiff: 3.4 ppm |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
12.82 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000057873 Reliable | 698.5134 | 698.5131 ~ 698.5138 MzDiff: 2.8 ppm |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
10.35 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000056826 Unreliable | 698.5132 | 698.5131 ~ 698.5135 MzDiff: 1.8 ppm |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
2.79 (100%) | Homo sapiens [UBERON:0007779] transudate |
| MSI_000043499 Unreliable | 698.5151 | 698.5151 ~ 698.5151 MzDiff: 0.2 ppm |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
2.01 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000047551 Unreliable | 698.5213 | 698.5213 ~ 698.5213 MzDiff: none |
Not Annotated | 2.24 (0%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047612 Unreliable | 698.515 | 698.515 ~ 698.515 MzDiff: none |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
2.21 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047669 Unreliable | 698.5089 | 698.5089 ~ 698.5089 MzDiff: none |
PG(i-12:0/a-17:0) (BioDeep_00000109007) Formula: C35H69O10P (680.4628) |
2.18 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000052173 Unreliable | 698.5091 | 698.5091 ~ 698.5091 MzDiff: none |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
2.29 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000052249 Unreliable | 698.5184 | 698.5184 ~ 698.5184 MzDiff: none |
3,4-dihydroxy-5-all-trans-octaprenylbenzoate (BioDeep_00000228814) Formula: C47H69O4 (697.5196) |
2.24 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000065606 Unreliable | 698.5128 | 698.5128 ~ 698.513 MzDiff: 0.9 ppm |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
2.34 (100%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000056744 Unreliable | 698.5113 | 698.5111 ~ 698.5115 MzDiff: 1.3 ppm |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
2.92 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000055702 Unreliable | 698.5151 | 698.5151 ~ 698.5151 MzDiff: none |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
0.69 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 39 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.1) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2.2) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 0.7) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 4.6) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.2) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 4.5) |
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). |
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.4) |
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). |
|
| 3,4-dihydroxy-5-all-trans-octaprenylbenzoate Formula: C47H69O4 (697.5196) Adducts: [M+H]+ (Ppm: 11.5) |
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). |
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 4) |
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). |
|
| 3,4-dihydroxy-5-all-trans-octaprenylbenzoate Formula: C47H69O4 (697.5196) Adducts: [M+H]+ (Ppm: 12.1) |
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). |
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.7) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 4.6) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.7) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2.7) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 4) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.6) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 4.3) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.7) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.6) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 1.3) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
| PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|
